| CAS Number | 1204234-95-6 |
| Catalog Number | AG019CMP(AGN-PC-0WBRVU) |
| Chemical Name | 2-Chloro-5-((trifluoromethyl)thio)pyridine |
| IUPAC Name | 2-chloro-5-(trifluoromethylsulfanyl)pyridine |
| InChI | InChI=1S/C6H3ClF3NS/c7-5-2-1-4(3-11-5)12-6(8,9)10/h1-3H |
| InChI Key | VBFOEFVOLUTFDF-UHFFFAOYSA-N |
| MDL Number | MFCD23382170 |
| Molecular Formula | C6H3ClF3NS |
| Molecular Weight | 213.6079 |
| SMILES | FC(SC1=CN=C(Cl)C=C1)(F)F |
| Synonyms | 1204234-95-6,
2-Chloro-5-[(trifluoromethyl)sulfanyl]pyridine,
2-Chloro-5-(trifluoromethylthio)pyridine,
2-Chloro-5-((trifluoromethyl)thio)pyridine,
SCHEMBL9953818,
VBFOEFVOLUTFDF-UHFFFAOYSA-N,
BBL104005,
STL557816,
ZINC91252779,
AKOS017344216,
2-chloro-5-trifluoromethylsulfanylpyridine,
Pyridine, 2-chloro-5-[(trifluoromethyl)thio]-,
N/A,
|
| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.963g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.602g/mol |
| Monoisotopic Mass | 212.963g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number