| CAS Number | 41288-94-2 |
| Catalog Number | AG00CKBP(AGN-PC-043669) |
| Chemical Name | 2-chloro-5-methylthio-pyridine |
| IUPAC Name | 2-chloro-5-methylsulfanylpyridine |
| InChI | InChI=1S/C6H6ClNS/c1-9-5-2-3-6(7)8-4-5/h2-4H,1H3 |
| InChI Key | GKQDGTBDVTVIDS-UHFFFAOYSA-N |
| MDL Number | MFCD22393873 |
| Molecular Formula | C6H6ClNS |
| Molecular Weight | 159.6365 |
| SMILES | S(C)c1ccc(Cl)nc1 |
| Synonyms | 2-chloro-5-methylthio-pyridine,
41288-94-2,
2-Chloro-5-(methylthio)pyridine,
2-chloro-5-methylthiopyridine,
SCHEMBL1145839,
GKQDGTBDVTVIDS-UHFFFAOYSA-N,
AKOS023832491,
ZINC115333989,
|
| 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