≥95% 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CC(=CC(=C1)C(F)(F)F)CSC2=NNC(=S)S2 |
|---|---|
| IUPAC Name | 5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-3H-1,3,4-thiadiazole-2-thione |
| InChIKey | GYRMUGAZBJIPHZ-UHFFFAOYSA-N |
| INCHI | 1S/C10H7F3N2S3/c11-10(12,13)7-3-1-2-6(4-7)5-17-9-15-14-8(16)18-9/h1-4H,5H2,(H,14,16) |
| Isomeric SMILES | C1=CC(=CC(=C1)C(F)(F)F)CSC2=NNC(=S)S2 |
| PubChem CID | 2777478 |
| Molecular Weight | 308.36 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Trifluoromethylbenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Trifluoromethylbenzenes |
| Alternative Parents | Alkylarylthioethers Thiadiazoles Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Trifluoromethylbenzene - Aryl thioether - Alkylarylthioether - Azole - Thiadiazole - Heteroaromatic compound - Thioether - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Alkyl fluoride - Hydrocarbon derivative - Organopnictogen compound - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups. |
| External Descriptors | Not available |
| Melt Point(°C) | 140-142°C |
|---|---|
| Molecular Weight | 308.400 g/mol |
| XLogP3 | 4.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 307.972 Da |
| Monoisotopic Mass | 307.972 Da |
| Topological Polar Surface Area | 107.000 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 357.000 |
| 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 |
![5-[[[3-(Trifluoromethyl)phenyl]methyl]thio]-1,3,4-thiadiazole-2(3H)-thione - ≥95% , CAS No.175277-94-8](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)