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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)NC(=O)CS)C(F)(F)F |
|---|---|
| IUPAC Name | 2-sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide |
| InChIKey | LRIKARNWWZHGBR-UHFFFAOYSA-N |
| INCHI | 1S/C9H8F3NOS/c10-9(11,12)6-2-1-3-7(4-6)13-8(14)5-15/h1-4,15H,5H2,(H,13,14) |
| Isomeric SMILES | C1=CC(=CC(=C1)NC(=O)CS)C(F)(F)F |
| PubChem CID | 16647701 |
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 →| Molecular Weight | 235.230 g/mol |
|---|---|
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 235.028 Da |
| Monoisotopic Mass | 235.028 Da |
| Topological Polar Surface Area | 30.100 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 232.000 |
| 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 |