≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488180343 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488180343 |
| Canonical Smiles | CC1=CC2=C(C=C1)SC(=N2)C |
| IUPAC Name | 2,5-dimethyl-1,3-benzothiazole |
| InChIKey | XHANCLXYCNTZMM-UHFFFAOYSA-N |
| INCHI | 1S/C9H9NS/c1-6-3-4-9-8(5-6)10-7(2)11-9/h3-5H,1-2H3 |
| Isomeric SMILES | CC1=CC2=C(C=C1)SC(=N2)C |
| RTECS | DL3675000 |
| Molecular Weight | 163.24 |
| Reaxy-Rn | 116455 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=116455&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 H2211432 | Certificate of Analysis | May 20, 2026 | D155412 |
| B2328620 | Certificate of Analysis | Feb 01, 2023 | D155412 |
| B2328622 | Certificate of Analysis | Feb 01, 2023 | D155412 |
| B2328623 | Certificate of Analysis | Feb 01, 2023 | D155412 |
| H2211378 | Certificate of Analysis | Jun 08, 2022 | D155412 |
| Boil Point(°C) | 146°C/10mmHg(lit.) |
|---|---|
| Melt Point(°C) | 42 °C |
| Molecular Weight | 163.240 g/mol |
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 163.046 Da |
| Monoisotopic Mass | 163.046 Da |
| Topological Polar Surface Area | 41.100 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 148.000 |
| 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 |
| 1. Haiyan Ma, Yuyao Li, Xianjing Zhang, Ling Yan, He Gao, Lan Liu, Longbin Xu. (2025) A phenothiazine-based fluorescent probe for ultrafast and selective hypochlorous acid detection with hydrogel-integrated smartphone readout. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, [PMID:41202412] [10.1016/j.saa.2025.127114] |
