| CAS Number | 51933-73-4 |
| Catalog Number | AG01BVTD(AGN-PC-0JOT85) |
| Chemical Name | 3-Methyl-2-(methylsulfanyl)pyridine |
| IUPAC Name | 3-methyl-2-methylsulfanylpyridine |
| InChI | InChI=1S/C7H9NS/c1-6-4-3-5-8-7(6)9-2/h3-5H,1-2H3 |
| InChI Key | PRGKIYGFVLGXPA-UHFFFAOYSA-N |
| MDL Number | MFCD22666567 |
| Molecular Formula | C7H9NS |
| Molecular Weight | 139.2181 |
| SMILES | c1cnc(c(c1)C)SC |
| Synonyms | 3-METHYL-2-(METHYLSULFANYL)PYRIDINE,
51933-73-4,
CID311760,
Pyridine, 3-methyl-2-(methylthio)-,
AC1L7JVF,
SCHEMBL5640712,
2-(Methylthio)-3-methylpyridine,
3-methyl-2-methylsulfanylpyridine,
ZINC13222447,
3-Methyl-2-(methylthio)pyridine, AldrichCPR,
3-methyl-2-methylsulfanyl-pyridine,
|
| Complexity | 85 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 139.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 139.216g/mol |
| Monoisotopic Mass | 139.046g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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