| CAS Number | 1803608-70-9 |
| Catalog Number | AG01AFY3 |
| Chemical Name | 3-[(trifluoromethyl)sulfanyl]pyridine hydrochloride |
| IUPAC Name | 3-(trifluoromethylsulfanyl)pyridine;hydrochloride |
| InChI | InChI=1S/C6H4F3NS.ClH/c7-6(8,9)11-5-2-1-3-10-4-5;/h1-4H;1H |
| InChI Key | GWFRAAJYRKBGKS-UHFFFAOYSA-N |
| MDL Number | MFCD27920271 |
| Molecular Formula | C6H5ClF3NS |
| Molecular Weight | 215.6238 |
| SMILES | Cl.FC(SC1=CN=CC=C1)(F)F |
| Synonyms | 3-[(trifluoromethyl)sulfanyl]pyridine hydrochloride,
1803608-70-9,
AKOS033575495,
NE37179,
|
| Complexity | 126 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.978g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.618g/mol |
| Monoisotopic Mass | 214.978g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number