| CAS Number | 98626-97-2 |
| Catalog Number | AG01DNHP(AGN-PC-00MK03) |
| Chemical Name | 2-Methylthio-3-chloropyridine |
| IUPAC Name | 3-chloro-2-methylsulfanylpyridine |
| InChI | InChI=1S/C6H6ClNS/c1-9-6-5(7)3-2-4-8-6/h2-4H,1H3 |
| InChI Key | WGGXTBMWWROJGF-UHFFFAOYSA-N |
| MDL Number | MFCD11656404 |
| Molecular Formula | C6H6ClNS |
| Molecular Weight | 159.6365 |
| SMILES | c1cnc(c(c1)Cl)SC |
| Synonyms | 2-Methylthio-3-chloropyridine,
98626-97-2,
3-Chloro-2-(methylsulfanyl)pyridine,
Pyridine, 3-chloro-2-(methylthio)-,
SCHEMBL3168798,
2-(Methylthio)-3-chloropyridine,
DTXSID60540654,
3-Chloro-2-pyridyl methyl sulfide,
MFCD11656404,
ZINC39647308,
AB0043309,
DB-082429,
FT-0730153,
Z1214,
Q-8471,
C13H13N3O2,
|
| Complexity | 89.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.991g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 159.631g/mol |
| Monoisotopic Mass | 158.991g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number