| CAS Number | 1849225-56-4 |
| Catalog Number | AG01B2IA |
| Chemical Name | 1-methyl-1H-1,2,3-triazole-4-carbothioamide |
| IUPAC Name | 1-methyltriazole-4-carbothioamide |
| InChI | InChI=1S/C4H6N4S/c1-8-2-3(4(5)9)6-7-8/h2H,1H3,(H2,5,9) |
| InChI Key | ODYJBZUGJMCLMP-UHFFFAOYSA-N |
| MDL Number | MFCD29991621 |
| Molecular Formula | C4H6N4S |
| Molecular Weight | 142.1822 |
| SMILES | CN1N=NC(C(N)=S)=C1 |
| Synonyms | 1-methyl-1H-1,2,3-triazole-4-carbothioamide,
1849225-56-4,
ZINC306691611,
|
| Complexity | 126 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 142.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 142.18g/mol |
| Monoisotopic Mass | 142.031g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 88.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number