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· · COA & SDS Disponibile per ogni prodotto · Spedizione lo stesso giorno su articoli in magazzino 4-Methyl-2-mercaptobenzothiazole - ≥97% , CAS No.2268-77-1
Synonyms
4-Methylbenzo[d]thiazole-2(3H)-thione | 2(3H)-Benzothiazolethione, 4-methyl- | 4-Methyl-2-mercaptobenzothiazol | SMR002048619 | AKOS016010650 | SCHEMBL17941559 | MLS003373823 | 4-methyl-2,3-dihydro-1,3-benzothiazole-2-thione | 4-Methyl-2-merkaptobenzothia
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Why this grade ≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Sinonimi
4-Methylbenzo[d]thiazole-2(3H)-thione | 2(3H)-Benzothiazolethione, 4-methyl- | 4-Methyl-2-mercaptobenzothiazol | SMR002048619 | AKOS016010650 | SCHEMBL17941559 | MLS003373823 | 4-methyl-2,3-dihydro-1,3-benzothiazole-2-thione | 4-Methyl-2-merkaptobenzothia
Condizioni di conservazione di stoccaggio
Room temperature
Nomi e identificatori Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488195106
Sorrisi canonici
CC1=C2C(=CC=C1)SC(=S)N2
IUPAC Name
4-methyl-3H-1,3-benzothiazole-2-thione
InChIKey
JACGKHGTBZGVMW-UHFFFAOYSA-N
INCHI
1S/C8H7NS2/c1-5-3-2-4-6-7(5)9-8(10)11-6/h2-4H,1H3,(H,9,10)
Isomeri SMILES
CC1=C2C(=CC=C1)SC(=S)N2
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=124529&ln=
Documentazione 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Classe Benzothiazoles Subclass Not available Intermediate Tree Nodes Not available Direct Parent Benzothiazoles Alternative Parents Benzenoids Thiazoles Heteroaromatic compounds Azacyclic compounds Organosulfur compounds Organonitrogen compounds Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents 1,3-benzothiazole - Benzenoid - Heteroaromatic compound - Thiazole - Azole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic heteropolycyclic compound Descrizione 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.
Struttura 3D Obiettivi associati (umani) Obiettivi associati (non umani) Meccanismi d'azione Certificati (CoA, COO, BSE/TSE e tabella di analisi) Proprietà chimiche e fisiche Peso molecolare 181.300 g/mol XLogP3 2.600 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 0 Exact Mass 181.002 Da Monoisotopic Mass 181.002 Da Topological Polar Surface Area 69.400 Ų Heavy Atom Count 11 Formal Charge 0 Complexity 181.000 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
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