≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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.
Information
BTR-1 is an active anti-cancer agent which can cause S phase arrest and affect DNA replication in leukemic cells. BTR-1 activates apoptosis and induces cell death.
| Canonical Smiles | CCN1C(=O)C(=CC2=CC=CC=C2)SC1=S |
|---|---|
| IUPAC Name | 5-benzylidene-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one |
| InChIKey | ZQDPYAPUFMILTB-UHFFFAOYSA-N |
| INCHI | 1S/C12H11NOS2/c1-2-13-11(14)10(16-12(13)15)8-9-6-4-3-5-7-9/h3-8H,2H2,1H3 |
| Isomeric SMILES | CCN1C(=O)C(=CC2=CC=CC=C2)SC1=S |
| Molecular Weight | 249.35 |
| Reaxy-Rn | 183677 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=183677&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 | Azolidines |
| Subclass | Thiazolidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thiazolidinethiones |
| Alternative Parents | Benzene and substituted derivatives Cyclic dithiocarbamic acid esters Carboxylic acids and derivatives Azacyclic compounds Organosulfur compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Monocyclic benzene moiety - Thiazolidinethione - Benzenoid - Cyclic dithiocarbamic acid ester - Dithiocarbamic acid ester - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as thiazolidinethiones. These are heterocyclic compounds containing a thiazolidinethione ring which bears one thioketone group. |
| 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 |
|---|---|---|---|
 A2412254 | Certificate of Analysis | Dec 11, 2023 | B412313 |
| A2412256 | Certificate of Analysis | Dec 11, 2023 | B412313 |
| A2412258 | Certificate of Analysis | Dec 11, 2023 | B412313 |
| A2412260 | Certificate of Analysis | Dec 11, 2023 | B412313 |
| A2412261 | Certificate of Analysis | Dec 11, 2023 | B412313 |
| A2412262 | Certificate of Analysis | Dec 11, 2023 | B412313 |
| A2412263 | Certificate of Analysis | Dec 11, 2023 | B412313 |
| Molecular Weight | 249.400 g/mol |
|---|---|
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 249.028 Da |
| Monoisotopic Mass | 249.028 Da |
| Topological Polar Surface Area | 77.700 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 332.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
| 1. Ru-Yang Zhao, Mu-Zi Li, Qi-Qian Wang, Fu-Wei Jiang, Yi Zhao, Jin-Long Li. (2025) STING inhibition suppresses butachlor-induced splenic macrophage pyroptosis and M1 polarization via cGAS-STING signaling. JOURNAL OF HAZARDOUS MATERIALS, [PMID:40737947] [10.1016/j.jhazmat.2025.139345] |
