| CAS Number | 1240596-59-1 |
| Catalog Number | AG00HHJ0 |
| Chemical Name | 2-Chloropyridine-3-thiocarboxamide |
| IUPAC Name | 2-chloropyridine-3-carbothioamide |
| InChI | InChI=1S/C6H5ClN2S/c7-5-4(6(8)10)2-1-3-9-5/h1-3H,(H2,8,10) |
| InChI Key | UIBDAMGTUPCTOT-UHFFFAOYSA-N |
| MDL Number | MFCD16659867 |
| Molecular Formula | C6H5ClN2S |
| Molecular Weight | 172.6353 |
| SMILES | NC(C1=C(Cl)N=CC=C1)=S |
| Synonyms | 1240596-59-1,
2-Chlorothionicotinamide,
2-CHLORO-THIONICOTINAMIDE,
2-Chloropyridine-3-thiocarboxamide,
2-chloropyridine-3-carbothioamide,
MFCD16659867,
PKCBB_00542,
DTXSID90576027,
3-Pyridinecarbothioamide, 2-chloro-,
ZINC66054506,
FCH1121376,
AS-31852,
|
| Complexity | 140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.986g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.63g/mol |
| Monoisotopic Mass | 171.986g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 71A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number