| CAS Number | 884863-17-6 |
| Catalog Number | AG00J2VQ(AGN-PC-00CA02) |
| Chemical Name | 2-Bromo-3-(methylthio)pyridine |
| IUPAC Name | 2-bromo-3-methylsulfanylpyridine |
| InChI | InChI=1S/C6H6BrNS/c1-9-5-3-2-4-8-6(5)7/h2-4H,1H3 |
| InChI Key | QDUBYPZLIZYQNK-UHFFFAOYSA-N |
| MDL Number | MFCD14702661 |
| Molecular Formula | C6H6BrNS |
| Molecular Weight | 204.0875 |
| SMILES | CSC1=C(N=CC=C1)Br |
| Synonyms | 2-BROMO-3-(METHYLTHIO)PYRIDINE,
884863-17-6,
SCHEMBL5700266,
ZX-CM010759,
MFCD14702661,
Pyridine, 2-bromo-3-(methylthio)-,
ZINC35882142,
AKOS024076032,
FCH1387423,
MB13966,
Y-7494,
2-bromo-3-methylsulfanyl-pyridine,
CID11593657,
|
| Complexity | 89.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.94g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.085g/mol |
| Monoisotopic Mass | 202.94g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number