| CAS Number | 342816-54-0 |
| Catalog Number | AG01C72M(AGN-PC-03PAJQ) |
| Chemical Name | 3-(ethylsulfanyl)pyridine-2-carbonitrile |
| IUPAC Name | 3-ethylsulfanylpyridine-2-carbonitrile |
| InChI | InChI=1S/C8H8N2S/c1-2-11-8-4-3-5-10-7(8)6-9/h3-5H,2H2,1H3 |
| InChI Key | LHWIVCLPFWAWCF-UHFFFAOYSA-N |
| MDL Number | MFCD24132526 |
| Molecular Formula | C8H8N2S |
| Molecular Weight | 164.2275 |
| SMILES | CCSC1=C(C#N)N=CC=C1 |
| Synonyms | 3-(ethylthio)picolinonitrile,
342816-54-0,
3-(ethylsulfanyl)pyridine-2-carbonitrile,
2-Cyano-3-(ethylthio)pyridine,
SCHEMBL7365422,
2-cyano-3-ethylsulfanylpyridine,
LHWIVCLPFWAWCF-UHFFFAOYSA-N,
MFCD24132526,
3-ethylsulfanylpyridine-2-carbonitrile,
AKOS020181915,
2-Pyridinecarbonitrile, 3-(ethylthio)-,
3-(Ethylthio)-2-pyridinecarbonitrile, 2-Cyano-3-ethylthiopyridine,
|
| Complexity | 161 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.226g/mol |
| Monoisotopic Mass | 164.041g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 62A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number