| CAS Number | 59243-40-2 |
| Catalog Number | AG00EXW7(AGN-PC-0SRT1E) |
| Chemical Name | 4-amino-1,2-dihydropyridine-2-thione |
| IUPAC Name | 4-amino-1H-pyridine-2-thione |
| InChI | InChI=1S/C5H6N2S/c6-4-1-2-7-5(8)3-4/h1-3H,(H3,6,7,8) |
| InChI Key | OZKUGIVLHQMDCP-UHFFFAOYSA-N |
| MDL Number | MFCD18833503 |
| Molecular Formula | C5H6N2S |
| Molecular Weight | 126.1795 |
| SMILES | NC1=CC(=S)NC=C1 |
| Synonyms | 4-AMINO-2-THIOPYRIDINE,
4-Amino-1,2-dihydropyridine-2-thione,
775228-90-5,
2(1H)-Pyridinethione, 4-amino-,
4-Amino-2-pyridinthion,
SCHEMBL10727424,
AKOS010977884,
59243-40-2,
2-Pyridinethiol, 4-amino- (9CI),
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 126.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 126.177g/mol |
| Monoisotopic Mass | 126.025g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 70.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
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Certificate of Analysis
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