| CAS Number | 1446002-40-9 |
| Catalog Number | AG01AFYU(AGN-PC-0WO5ZF) |
| Chemical Name | 5-bromo-3-methoxy-2-(methylsulfanyl)pyridine |
| IUPAC Name | 5-bromo-3-methoxy-2-methylsulfanylpyridine |
| InChI | InChI=1S/C7H8BrNOS/c1-10-6-3-5(8)4-9-7(6)11-2/h3-4H,1-2H3 |
| InChI Key | VEAFDNQQHXZJNR-UHFFFAOYSA-N |
| MDL Number | MFCD27920282 |
| Molecular Formula | C7H8BrNOS |
| Molecular Weight | 234.1135 |
| SMILES | CSC1=NC=C(Br)C=C1OC |
| Synonyms | 5-bromo-3-methoxy-2-(methylsulfanyl)pyridine,
1446002-40-9,
SCHEMBL15052497,
VEAFDNQQHXZJNR-UHFFFAOYSA-N,
ZINC95884057,
AKOS026728042,
5-Bromo-3-methoxy-2-methylsulfanyl-pyridine,
FT-0708703,
Pyridine, 5-bromo-3-methoxy-2-(methylthio)-,
5-bromo-3-methoxy-2-(methylthio)Pyridine,
|
| Complexity | 125 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.951g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.111g/mol |
| Monoisotopic Mass | 232.951g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 47.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number