| CAS Number | 13287-68-8 |
| Catalog Number | AG01FBK1(AGN-PC-3H49JD) |
| Chemical Name | Pyridine-2-carbothioic acid dimethylamide |
| IUPAC Name | N,N-dimethylpyridine-2-carbothioamide |
| InChI | InChI=1S/C8H10N2S/c1-10(2)8(11)7-5-3-4-6-9-7/h3-6H,1-2H3 |
| InChI Key | HFRPORBJWJMRIG-UHFFFAOYSA-N |
| MDL Number | MFCD06637681 |
| Molecular Formula | C8H10N2S |
| Molecular Weight | 166.2434 |
| SMILES | CN(C(=S)c1ccccn1)C |
| Synonyms | Pyridine-2-carbothioic acid dimethylamide,
13287-68-8,
CTK6H9257,
ZINC8701024,
N,N-dimethylpyridine-2-carbothioamide,
AKOS006292323,
N,N-dimethyl-2-pyridinethiocarboxamide,
MCULE-8283283634,
(dimethylamino)-2-pyridylmethane-1-thione,
ST51042345,
|
| Complexity | 145 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.242g/mol |
| Monoisotopic Mass | 166.056g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 48.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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