| CAS Number | 501379-24-4 |
| Catalog Number | AG006VUL(AGN-PC-02RRX0) |
| Chemical Name | 4-(Methylthio)picolinonitrile |
| IUPAC Name | 4-methylsulfanylpyridine-2-carbonitrile |
| InChI | InChI=1S/C7H6N2S/c1-10-7-2-3-9-6(4-7)5-8/h2-4H,1H3 |
| InChI Key | OHBQLVNPKQOPQO-UHFFFAOYSA-N |
| MDL Number | MFCD09261079 |
| Molecular Formula | C7H6N2S |
| Molecular Weight | 150.2009 |
| SMILES | CSC1=CC(C#N)=NC=C1 |
| Synonyms | 4-(Methylthio)picolinonitrile,
501379-24-4,
4-(methylsulfanyl)pyridine-2-carbonitrile,
2-cyano-4-methylthiopyridine,
SCHEMBL1145319,
CTK8C2805,
DTXSID40604965,
OHBQLVNPKQOPQO-UHFFFAOYSA-N,
4-Methylthiopyridine-2-carbonitrile,
6852AB,
ANW-69025,
ZINC39050276,
AKOS012235555,
NE45576,
AJ-97499,
DB-071115,
TC-157770,
FT-0707823,
C7H6N2S,
2-Pyridinecarbonitrile, 4-(methylthio)- (9CI),
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| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 150.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 150.199g/mol |
| Monoisotopic Mass | 150.025g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 62A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number