| CAS Number | 1094459-09-2 |
| Catalog Number | AG01BGA1(AGN-PC-0WOU0O) |
| Chemical Name | 2-hydroxypyridine-4-carbothioamide |
| IUPAC Name | 2-oxo-1H-pyridine-4-carbothioamide |
| InChI | InChI=1S/C6H6N2OS/c7-6(10)4-1-2-8-5(9)3-4/h1-3H,(H2,7,10)(H,8,9) |
| InChI Key | HPRBBOIGXICHDH-UHFFFAOYSA-N |
| MDL Number | MFCD11213693 |
| Molecular Formula | C6H6N2OS |
| Molecular Weight | 154.1896 |
| SMILES | NC(C1=CC(O)=NC=C1)=S |
| Synonyms | 2-hydroxypyridine-4-carbothioamide,
1094459-09-2,
ZINC36949563,
AKOS009345807,
|
| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.187g/mol |
| Monoisotopic Mass | 154.02g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 87.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number