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· · COA & SDS available for every product · Same-day shipping on in-stock items 2,5,6-Trimethylbenzothiazole - ≥98% , CAS No.5683-41-0
Synonyms
AKOS000546887 | T1738 | Z56922109 | AS-76172 | A831195 | InChI=1/C10H11NS/c1-6-4-9-10(5-7(6)2)12-8(3)11-9/h4-5H,1-3H3 | EN300-01337 | MFCD00128832 | MLS000517195 | D92515 | EINECS 227-148-0 | SMR000343346 | STK396262 | HMS2671O04 | GEO-02415 | 2,5,6-Trime
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships 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 Synonyms
AKOS000546887 | T1738 | Z56922109 | AS-76172 | A831195 | InChI=1/C10H11NS/c1-6-4-9-10(5-7(6)2)12-8(3)11-9/h4-5H, 1-3H3 | EN300-01337 | MFCD00128832 | MLS000517195 | D92515 | EINECS 227-148-0 | SMR000343346 | STK396262 | HMS2671O04 | GEO-02415 | 2, 5, 6-Trime
Specifications & Purity
≥98%
Names and Identifiers Pubchem Sid 504755415 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504755415 Canonical Smiles CC1=CC2=C(C=C1C)SC(=N2)C IUPAC Name 2,5,6-trimethyl-1,3-benzothiazole InChIKey ZZLZXZFVVOXVRG-UHFFFAOYSA-N INCHI 1S/C10H11NS/c1-6-4-9-10(5-7(6)2)12-8(3)11-9/h4-5H,1-3H3 Isomeric SMILES CC1=CC2=C(C=C1C)SC(=N2)C PubChem CID 79765 Molecular Weight 177.27 Beilstein 27(5)5,437 Reaxy-Rn 118664 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=118664&ln=
Documentation 📋 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 Class Benzothiazoles Subclass Not available Intermediate Tree Nodes Not available Direct Parent Benzothiazoles Alternative Parents Benzenoids Thiazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents 1,3-benzothiazole - Benzenoid - Heteroaromatic compound - Thiazole - Azole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - 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.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Boil Point(°C) 143 °C/5 mmHg Melt Point(°C) 85 °C Molecular Weight 177.270 g/mol XLogP3 3.500 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 0 Exact Mass 177.061 Da Monoisotopic Mass 177.061 Da Topological Polar Surface Area 41.100 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 171.000 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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