| CAS Number | 19520-27-5 |
| Catalog Number | AG00AMZB(AGN-PC-03LKGG) |
| Chemical Name | 5-Bromo-2-(phenylsulfanyl)pyridine |
| IUPAC Name | 5-bromo-2-phenylsulfanylpyridine |
| InChI | InChI=1S/C11H8BrNS/c12-9-6-7-11(13-8-9)14-10-4-2-1-3-5-10/h1-8H |
| InChI Key | YTXIOQKCKQRXRZ-UHFFFAOYSA-N |
| MDL Number | MFCD14652075 |
| Molecular Formula | C11H8BrNS |
| Molecular Weight | 266.1569 |
| SMILES | BrC1=CN=C(SC2=CC=CC=C2)C=C1 |
| Synonyms | 5-bromo-2-(phenylthio)pyridine,
19520-27-5,
5-bromo-2-(phenylsulfanyl)pyridine,
SCHEMBL510066,
2-(Phenylthio)-5-bromopyridine,
YTXIOQKCKQRXRZ-UHFFFAOYSA-N,
5-Bromo-2-phenylsulfanyl-pyridine,
Pyridine, 5-bromo-2-(phenylthio)-,
ZINC42389165,
AKOS010630633,
|
| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.956g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.156g/mol |
| Monoisotopic Mass | 264.956g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number