2,2′-Dithiobis(benzothiazole) - ≥98% , CAS No.120-78-5

CAS: 120-78-5 Cat. No.: D110137 Peso molecular: 332.49 Número EC: 204-424-9

GRADE & PURITY ≥98%

Synonyms

Dibenzothiazolyl disulfide | Dwusiarczek dwubenzotiazylu | MBTS | Naugex MBT | NSC-2 | Benzothiazole, 2,2'-dithiobis- | Benzothiazole, dithiobis- | CAS-120-78-5 | Dibenzothiazole disulfide | 1,2-bis(benzo[d]thiazol-2-yl)disulfane | DB14201 | Dwusiarczek d

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Dibenzothiazolyl disulfide | Dwusiarczek dwubenzotiazylu | MBTS | Naugex MBT | NSC-2 | Benzothiazole, 2, 2'-dithiobis- | Benzothiazole, dithiobis- | CAS-120-78-5 | Dibenzothiazole disulfide | 1, 2-bis(benzo[d]thiazol-2-yl)disulfane | DB14201 | Dwusiarczek d

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488180797
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180797
• Sonrisas canónicas: C1=CC=C2C(=C1)N=C(S2)SSC3=NC4=CC=CC=C4S3
• IUPAC Name: 2-(1,3-benzothiazol-2-yldisulfanyl)-1,3-benzothiazole
• InChIKey: AFZSMODLJJCVPP-UHFFFAOYSA-N
• INCHI: 1S/C14H8N2S4/c1-3-7-11-9(5-1)15-13(17-11)19-20-14-16-10-6-2-4-8-12(10)18-14/h1-8H
• Isómeros SMILES: C1=CC=C2C(=C1)N=C(S2)SSC3=NC4=CC=CC=C4S3
• WGK Alemania: 2
• RTECS: DL4550000
• Número ONU: 3077
• Grupo de embalaje: III
• Peso molecular: 332.49
• Reaxy-Rn: 285796
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=285796&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzothiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzothiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzothiazoles
• Alternative Parents: Benzenoids Thiazoles Heteroaromatic compounds Organic disulfides Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,3-benzothiazole - Benzenoid - Heteroaromatic compound - Thiazole - Azole - Organic disulfide - Azacycle - Sulfenyl compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
• External Descriptors: benzothiazoles - organic disulfide

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Objetivos asociados (humanos)

FBP1 Tchem Fructose-1,6-bisphosphatase 1 (1 Activities)

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

SLC6A3 Tclin Sodium-dependent dopamine transporter (2 Activities)

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ADRA2B Tclin Alpha-2B adrenergic receptor (1 Activities)

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PDE5A Tclin Phosphodiesterase 5A (5113 Activities)

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EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA2 Tclin Carbonic anhydrase II (17698 Activities)

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ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HMGCR Tclin HMG-CoA reductase (2475 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

INSR Tclin Insulin receptor (5558 Activities)

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PGR Tclin Progesterone receptor (8562 Activities)

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ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)

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CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ADRB1 Tclin Beta-1 adrenergic receptor (6630 Activities)

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HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 Activities)

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ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

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ACE Tclin Angiotensin-converting enzyme (1423 Activities)

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DRD2 Tclin Dopamine D2 receptor (23596 Activities)

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MAOA Tclin Monoamine oxidase A (11911 Activities)

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CNR1 Tclin Cannabinoid CB1 receptor (20913 Activities)

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DRD1 Tclin Dopamine D1 receptor (9720 Activities)

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DRD4 Tchem Dopamine D4 receptor (7907 Activities)

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ACHE Tclin Acetylcholinesterase (18204 Activities)

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PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

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SLC6A2 Tclin Norepinephrine transporter (10102 Activities)

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HRH2 Tclin Histamine H2 receptor (5428 Activities)

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ADRA1D Tclin Alpha-1d adrenergic receptor (4171 Activities)

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HTR1B Tclin Serotonin 1b (5-HT1b) receptor (2801 Activities)

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HTR2A Tclin Serotonin 2a (5-HT2a) receptor (14758 Activities)

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HTR2C Tclin Serotonin 2c (5-HT2c) receptor (11471 Activities)

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ADORA1 Tclin Adenosine A1 receptor (17603 Activities)

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CALCR Tclin Calcitonin receptor (2215 Activities)

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SLC6A4 Tclin Serotonin transporter (12625 Activities)

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ADRA1A Tclin Alpha-1a adrenergic receptor (8359 Activities)

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PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HRH1 Tclin Histamine H1 receptor (7573 Activities)

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ADRA1B Tclin Alpha-1b adrenergic receptor (2912 Activities)

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OPRM1 Tclin Mu opioid receptor (19785 Activities)

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DRD3 Tclin Dopamine D3 receptor (14368 Activities)

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AVPR1A Tclin Vasopressin V1a receptor (5412 Activities)

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OPRD1 Tclin Delta opioid receptor (15096 Activities)

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OPRK1 Tclin Kappa opioid receptor (16155 Activities)

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SLC6A3 Tclin Dopamine transporter (10535 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KCNH2 Tclin HERG (29587 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HTR4 Tclin Serotonin 4 (5-HT4) receptor (2068 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ESR2 Tclin Estrogen receptor beta (9272 Activities)

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CYSLTR1 Tclin Cysteinyl leukotriene receptor 1 (2118 Activities)

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ERBB2 Tclin Receptor protein-tyrosine kinase erbB-2 (7851 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CHRM4 Tclin Muscarinic acetylcholine receptor M4 (6041 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CHRM5 Tclin Muscarinic acetylcholine receptor M5 (4677 Activities)

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ADRA2B Tclin Alpha-2b adrenergic receptor (4412 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Agtr2 Angiotensin II type 2 (AT-2) receptor (803 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mc4r Melanocortin receptor 4 (1205 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Ltc4s Leukotriene C4 synthase (1 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Sigmar1 Sigma opioid receptor (160 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Npy1r Neuropeptide Y receptor type 1 (8 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Cckar Cholecystokinin A receptor (90 Activities)

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Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

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Nos2 Nitric oxide synthase, inducible (3573 Activities)

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Mapk1 MAP kinase ERK2 (650 Activities)

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Mmp9 Matrix metalloproteinase 9 (38 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Pseudomonas aeruginosa (123386 Activities)

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Mus musculus (284745 Activities)

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Rattus norvegicus (775804 Activities)

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GCN5 Histone acetyltransferase GCN5 (89 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

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Glra2 Glycine receptor (1745 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SARS-CoV-2 (38078 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive
• Punto de fusión (°C): 178°C
• Peso molecular: 332.500 g/mol
• XLogP3: 5.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 331.957 Da
• Monoisotopic Mass: 331.957 Da
• Topological Polar Surface Area: 133.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 311.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

1. Wan Songhan, Chen Songbo, Yang Qingshan, He Xianru.  (2023)  Zirconium phosphate modified by polydopamine as anti-aging filler for improving thermal oxidative aging resistance of nitrile butadiene rubber.  IRANIAN POLYMER JOURNAL,      [PMID:] [10.1007/s13726-023-01258-6]

2. Meixia Xie, Jiale Cai, Xiaoting Zhong, Jiayin Liang, Shengwang Liang, Minghua Xian, Chunyan Yan, Shumei Wang.  (2023)  Extraction and structural profiling of polysaccharides from Rehmannia glutinosa and anti-inflammatory action via the NF-κB/IκBα pathway.  INDUSTRIAL CROPS AND PRODUCTS,      [PMID:] [10.1016/j.indcrop.2023.117874]

3. Gao Shengqi, He Qin, Yang Qingshan, Wan Songhan, He Xianru.  (2023)  Research of NBR/G@Fe3O4 electromagnetic shielding composites.  JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS,  34  (11): (1-12).  [PMID:] [10.1007/s10854-023-10401-1]

4. Peng Wang, Baoluo He, Yixuan Du, Biwen Wang, Jingde Gao, Shujuan Liu, Qian Ye, Feng Zhou.  (2022)  Functionalized Ti3C2Tx-based nanocomposite coatings for anticorrosion and antifouling applications.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2022.137668]

5. Yunqi Wang, Xu Tang, Zhixiang Liu, Zhi Liu, Yongsheng Yan, Boting Yang, Zhi Zhu.  (2020)  Fabrication of a Z-scheme MoS2/CuO heterojunction for enhanced 2-mercaptobenzothiazole degradation activity and mechanism insight.  NEW JOURNAL OF CHEMISTRY,  44  (42): (18264-18273).  [PMID:] [10.1039/D0NJ03521A]

6. Tong He, Geng Nan Wang, Ju Xiang Liu, Wei Li Zhao, Jing Jie Huang, Ming Xin Xu, Jian Ping Wang, Jing Liu.  (2019)  Dummy molecularly imprinted polymer based microplate chemiluminescence sensor for one-step detection of Sudan dyes in egg.  FOOD CHEMISTRY,      [PMID:30902303] [10.1016/j.foodchem.2019.03.031]

7. Fang Zhao, Jia Lu, Xin Jin, Ze Wang, Yinghui Sun, Dandan Gao, Xinyu Li, Rui Liu.  (2018)  Comparison of response surface methodology and artificial neural network to optimize novel ophthalmic flexible nano-liposomes: Characterization, evaluation, in vivo pharmacokinetics and molecular dynamics simulation.  COLLOIDS AND SURFACES B-BIOINTERFACES,      [PMID:30173096] [10.1016/j.colsurfb.2018.08.046]

8. Kai Han, Jian Liu, Fukang Hao, Jianlong Wang, Jinfeng Yuan, Zhicheng Pan, Mingwang Pan.  (2024)  An adaptive waterborne fluorocarbon coatings with Anti-Flashing Rust, Antibiofouling, and Self-Repairing properties.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.153644]

9. You Xu, Tong Zheng, Gongbao Guo, Jiahang Li, Hanjing Luo, Haosong Jiang, Weidong Ai, Yue Li, Cundi Wei.  (2025)  Effect of coal gasification fine slag's particle size on the processing properties of styrene butadiene rubber and natural rubber composites for replacing commercial silica.  POLYMER,      [PMID:] [10.1016/j.polymer.2025.128160]

10. Yufeng Chen, Lu Yang, Yuxin Peng, Xue Yi, Xianli Yi, Hongru Li, Zhiyong Wang, Fang Gao.  (2025)  Branched Molecule Carrying Multiple Amide Groups for Accelerating Zinc Anode, Testified by In Situ Monitoring and Improved Batteries.  LANGMUIR,      [PMID:40762025] [10.1021/acs.langmuir.5c02667]

11. Liu Yonggang, Hao Wei, Zhang Wentao, Liu Zhaogang, Li Shuai, Hu Yanhong, Wu Jinxiu.  (2024)  Effect of cerium cysteine on the vulcanisation property and thermo-oxidative ageing of natural rubber.  Journal of Rubber Research,  27  (3): (489-499).  [PMID:] [10.1007/s42464-024-00265-3]

12. Jianghong Yang, Haohao Ren, Chufeng Sun, Yanjun Ma, Lei Chen, Fengying Li, Huidi Zhou, Jianmin Chen.  (2026)  Bioinspired smart responsive nacre-gum-mimetic nanocomposites for corrosion-wear protection.  PROGRESS IN ORGANIC COATINGS,      [PMID:] [10.1016/j.porgcoat.2025.109937]