2-(Morpholinothio)benzothiazole - ≥97% , CAS No.102-77-2

CAS: 102-77-2 Cat. No.: M158491 Summenformel: C₁₁H₁₂N₂OS₂ Molekulargewicht: 252.35 EG-Nummer: 203-052-4

GRADE & PURITY ≥97%

Synonyms

BS-42257 | N-(Oxydiethylene)benzothiazylsulfenamide | AI3-27134 | E78169 | HMS1760H22 | N,N-(Oxydiethylene)benzothiazole-2-sulfenamide | OBTS | Q-200146 | (2-Morpholinothio)benzothiazole | EINECS 203-052-4 | UNII-VCD7623F3K | 2-(Morpholinothio)benzothiazo

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

BS-42257 | N-(Oxydiethylene)benzothiazylsulfenamide | AI3-27134 | E78169 | HMS1760H22 | N,N-(Oxydiethylene)benzothiazole-2-sulfenamide | OBTS | Q-200146 | (2-Morpholinothio)benzothiazole | EINECS 203-052-4 | UNII-VCD7623F3K | 2-(Morpholinothio)benzothiazo

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 504751410
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751410
• Kanonisches Lächeln: C1COCCN1SC2=NC3=CC=CC=C3S2
• IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)morpholine
• InChIKey: MHKLKWCYGIBEQF-UHFFFAOYSA-N
• INCHI: 1S/C11H12N2OS2/c1-2-4-10-9(3-1)12-11(15-10)16-13-5-7-14-8-6-13/h1-4H,5-8H2
• Isomere SMILES: C1COCCN1SC2=NC3=CC=CC=C3S2
• RTECS: DL5950000
• Molekulargewicht: 252.35
• Reaxy-Rn: 191684
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=191684&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Benzothiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Benzothiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzothiazoles
• Alternative Parents: Morpholines Benzenoids Thiazoles Heteroaromatic compounds Sulfenyl compounds Oxacyclic compounds Organosulfenic acid amides Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,3-benzothiazole - Morpholine - Oxazinane - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Dialkyl ether - Ether - Organosulfenic acid amide - Oxacycle - Sulfenyl compound - Azacycle - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
• Beschreibung: 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

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VDR Tclin Vitamin D receptor (26531 Activities)

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PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)

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

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

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HepG2 (196354 Activities)

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HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)

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KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

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

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

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

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PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

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RGS4 Tchem Regulator of G-protein signaling 4 (13867 Activities)

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Hdac6 Histone deacetylase 6 (222 Activities)

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Pkm Pyruvate kinase isozymes M1/M2 (66 Activities)

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GCN5 Histone acetyltransferase GCN5 (89 Activities)

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Luciferin 4-monooxygenase (66902 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

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ddn Putative uncharacterized protein (49 Activities)

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TGR Thioredoxin glutathione reductase (28579 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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NS1 Nonstructural protein 1 (33327 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Practically insoluble in water ;soluble in Acetone,Chloroform,Toluene,Benzene
• Schmelzpunkt (°C): 84.0 - 88.0 °C
• Molekulargewicht: 252.400 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 252.039 Da
• Monoisotopic Mass: 252.039 Da
• Topological Polar Surface Area: 78.900 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 236.000
• 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

Referenzen

1. Yuan Zhang, Dong Wang, Gaili Liu, Kun Wang, Shaomin Shuang, Chuan Dong.  (2025)  A novel CuO nanoparticle loaded DMSN@MnO2 nanozyme as an optical platform for 2-mercaptobenzothiazole assays and biotoxicity mitigation.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.159363]

2. Rongyao Tao, Rizhen He, Yaqing Liu, Shuaishuai Cheng, Dong An, Guizhe Zhao.  (2025)  Charge optimization for high-performance graphene oxide/natural rubber composites to study the filler-rubber interfacial interaction in different states of rubber.  CARBON,      [PMID:] [10.1016/j.carbon.2025.120628]

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 102-77-2, the molecular formula is C11H12N2OS2, and the molecular weight is 252.35 g/mol. InChIKey MHKLKWCYGIBEQF-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.