| CAS Number | 1196151-97-9 |
| Catalog Number | AG01AIO6(AGN-PC-0WO7UT) |
| Chemical Name | 5-amino-1-methyl-3-(methylsulfanyl)-1H-pyrazole-4-carboxamide |
| IUPAC Name | 5-amino-1-methyl-3-methylsulfanylpyrazole-4-carboxamide |
| InChI | InChI=1S/C6H10N4OS/c1-10-4(7)3(5(8)11)6(9-10)12-2/h7H2,1-2H3,(H2,8,11) |
| InChI Key | MRKQONLWSZEGSW-UHFFFAOYSA-N |
| MDL Number | MFCD08236782 |
| Molecular Formula | C6H10N4OS |
| Molecular Weight | 186.2348 |
| SMILES | CSC1C(C(N)=O)=C(N)N(C)N=1 |
| Synonyms | 5-amino-1-methyl-3-(methylsulfanyl)-1H-pyrazole-4-carboxamide,
1196151-97-9,
ZINC68592496,
AKOS006285508,
ZINC101114906,
AB44004,
MCULE-4456893706,
NE45840,
EN300-78536,
Z1268152362,
3-imino-2-methyl-5-(methylsulfanyl)-2,3-dihydro-1H-pyrazole-4-carboxamide,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.233g/mol |
| Monoisotopic Mass | 186.058g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 112A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number