N-Cyclohexyl-2-benzothiazolylsulfenamide - ≥98%(HPLC) , CAS No.95-33-0

CAS: 95-33-0 Cat. No.: N159494 Molecular Weight: 264.41 EC Number: 202-411-2

GRADE & PURITY ≥98%(HPLC)

Synonyms

EINECS 202-411-2 | Conac S | Curax | N-(1,3-benzothiazol-2-ylthio)cyclohexanamine | N-Cyclohexyl-2-benzothiazole sulfenamide | N-Cyclohexyl-2-benzothiazolesulfenamide | Royal CBTS | Sanceler CM-PO | Vulcafor CBS | Vulkacit cz/eg | CAS-95-33-0 | Ekagom CBS

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

EINECS 202-411-2 | Conac S | Curax | N-(1, 3-benzothiazol-2-ylthio)cyclohexanamine | N-Cyclohexyl-2-benzothiazole sulfenamide | N-Cyclohexyl-2-benzothiazolesulfenamide | Royal CBTS | Sanceler CM-PO | Vulcafor CBS | Vulkacit cz/eg | CAS-95-33-0 | Ekagom CBS

Specifications & Purity

≥98%(HPLC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 488180346
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180346
• Canonical Smiles: C1CCC(CC1)NSC2=NC3=CC=CC=C3S2
• IUPAC Name: N-(1,3-benzothiazol-2-ylsulfanyl)cyclohexanamine
• InChIKey: DEQZTKGFXNUBJL-UHFFFAOYSA-N
• INCHI: 1S/C13H16N2S2/c1-2-6-10(7-3-1)15-17-13-14-11-8-4-5-9-12(11)16-13/h4-5,8-10,15H,1-3,6-7H2
• Isomeric SMILES: C1CCC(CC1)NSC2=NC3=CC=CC=C3S2
• RTECS: DL6250000
• Molecular Weight: 264.41
• Reaxy-Rn: 192376
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=192376&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzothiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzothiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzothiazoles
• Alternative Parents: Benzenoids Thiazoles Heteroaromatic compounds Sulfenyl compounds Organosulfenic acid amides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,3-benzothiazole - Benzenoid - Heteroaromatic compound - Thiazole - Azole - Azacycle - Sulfenyl compound - Organosulfenic acid amide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: 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: Not available

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

Associated Targets(Human)

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

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

ALOX15B Tchem Arachidonate 15-lipoxygenase, type II (7244 Activities)

Discover Target: ALOX15B

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

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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

MCF7 (126967 Activities)

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HepG2 (196354 Activities)

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

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)

Discover Target: HPGD

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

PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

Discover Target: PMP22

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Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

GCN5 Histone acetyltransferase GCN5 (89 Activities)

Discover Target: GCN5

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Luciferin 4-monooxygenase (66902 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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

ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

Discover Target: ffp

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility in water: Practically insoluble; Very soluble in Benzene,Acetone,Chloroform,Toluene; Slightly soluble in Ethanol,Methanol
• Melt Point(°C): 101 °C
• Molecular Weight: 264.400 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 264.075 Da
• Monoisotopic Mass: 264.075 Da
• Topological Polar Surface Area: 78.500 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 244.000
• 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

References

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19. Qiao Li, Benteng Liu, Zhaopeng Hu, Xin Jiang, Li Yang, Hongda Meng, Yihu Song, Qiang Zheng.  (2024)  Preparation of deep eutectic solvents based on metal ions and their influences on reinforcement and strain softening behaviors of silica filled natural rubber nanocomposites.  COMPOSITES PART A-APPLIED SCIENCE AND MANUFACTURING,      [PMID:] [10.1016/j.compositesa.2024.108119]

20. Xin-Yu Liu, Shu-Jing Zhou(Co-author), Fang Luan, Yu-Hang Wang, Xiu-Juan Ma, Li-Yuan Sui, Yan-Ru Feng.  (2025)  In situ encapsulation of coumarin/fluorescent bleacher/carbazole derivatives@Eu MOF materials for white light-emitting diodes.  RSC Advances,  15  (36): (29989-29994).  [PMID:40860087] [10.1039/D5RA03849A]

21. Xuanyu Shi, Yaping Qu, Yutao Di, Qi Zhou, Wei Li.  (2025)  Influence of Gel on the Payne Effect and Mullins Effect of Butadiene Rubber.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.5c01101]

22. Zitao Yu, Xiyan Dong, Danyang Cao, Zhongfan Luo, Yongguang Yu, Huaze Sun, Zhenyuan Xiao, Jiahua Zhu, Xiaohua Lu, Liwen Mu.  (2025)  Mechanistic Insight into Lignin as a Green Rubber Additive: Correlation Analysis of Structural Parameters.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.5c02452]

23. Caixia Zhang, Shoubing Chen, Qian Dou, Yanhui Li, Qihua Wang, Tingmei Wang.  (2025)  Study on the Modification of Nitrile-Butadiene Rubber by Halloysite Nanotube-Oleylamine Graft and Its Low-Temperature Resistance Performance.  JOURNAL OF APPLIED POLYMER SCIENCE,      [PMID:] [10.1002/app.70076]

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