| CAS Number | 88398-68-9 |
| Catalog Number | AG019W2G(AGN-PC-00M5CO) |
| Chemical Name | 1-Methyl-1H-pyrazole-4-sulfonamide |
| IUPAC Name | 1-methylpyrazole-4-sulfonamide |
| InChI | InChI=1S/C4H7N3O2S/c1-7-3-4(2-6-7)10(5,8)9/h2-3H,1H3,(H2,5,8,9) |
| InChI Key | WEBBAOGRCDKLTH-UHFFFAOYSA-N |
| MDL Number | MFCD11649740 |
| Molecular Formula | C4H7N3O2S |
| Molecular Weight | 161.1823 |
| SMILES | CN1N=CC(S(N)(=O)=O)=C1 |
| Synonyms | 1-methyl-1H-pyrazole-4-sulfonamide,
88398-68-9,
AC1Q3YSZ,
SCHEMBL626824,
CTK6I3969,
DTXSID80537480,
ZINC36379610,
AKOS008127351,
MCULE-4994094657,
NE57838,
EN300-50264,
AB01002663-01,
F2199-0246,
1H-Pyrazole-4-sulfonamide, 1-methyl- (9CI),
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.179g/mol |
| Monoisotopic Mass | 161.026g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 86.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number