| CAS Number | 106701-91-1 |
| Catalog Number | AG01DX9R(AGN-PC-0AM7EI) |
| Chemical Name | 5-methyl-1H-pyrazole-3-carbothioamide |
| IUPAC Name | 5-methyl-1H-pyrazole-3-carbothioamide |
| InChI | InChI=1S/C5H7N3S/c1-3-2-4(5(6)9)8-7-3/h2H,1H3,(H2,6,9)(H,7,8) |
| InChI Key | CMWCGGNFIYQGEK-UHFFFAOYSA-N |
| MDL Number | MFCD19207249 |
| Molecular Formula | C5H7N3S |
| Molecular Weight | 141.1942 |
| SMILES | CC1NN=C(C(N)=S)C=1 |
| Synonyms | 5-METHYL-1H-PYRAZOLE-3-CARBOTHIOAMIDE,
106701-91-1,
AKOS006363114,
|
| Complexity | 125 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 141.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 141.192g/mol |
| Monoisotopic Mass | 141.036g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 86.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number