| CAS Number | 848141-13-9 |
| Catalog Number | AG00IDG3(AGN-PC-0CT2AQ) |
| Chemical Name | 5-Methanesulfonylpyridine-2-carbonitrile |
| IUPAC Name | 5-methylsulfonylpyridine-2-carbonitrile |
| InChI | InChI=1S/C7H6N2O2S/c1-12(10,11)7-3-2-6(4-8)9-5-7/h2-3,5H,1H3 |
| InChI Key | WGTUUPXIIZIOLR-UHFFFAOYSA-N |
| MDL Number | MFCD26395889 |
| Molecular Formula | C7H6N2O2S |
| Molecular Weight | 182.1997 |
| SMILES | O=S(C1=CC=C(C#N)N=C1)(C)=O |
| Synonyms | 5-(Methylsulfonyl)picolinonitrile,
848141-13-9,
5-Methanesulfonylpyridine-2-carbonitrile,
5-(Methylsulfonyl)pyridine-2-carbonitrile,
SCHEMBL561798,
WGTUUPXIIZIOLR-UHFFFAOYSA-N,
5-methanesulfonyl-pyridine-2-carbonitrile,
2-Pyridinecarbonitrile, 5-(methylsulfonyl)-,
CS-0081754,
2-(chloromethyl)-5-(methylsulfonyl)pyridine,
1196151-88-8,
|
| Complexity | 295 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.197g/mol |
| Monoisotopic Mass | 182.015g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 79.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number