| CAS Number | 101258-32-6 |
| Catalog Number | AG009PPW(AGN-PC-0OQHSP) |
| Chemical Name | 5-chloro-1-methyl-1H-imidazole-4-sulfonamide |
| IUPAC Name | 5-chloro-1-methylimidazole-4-sulfonamide |
| InChI | InChI=1S/C4H6ClN3O2S/c1-8-2-7-4(3(8)5)11(6,9)10/h2H,1H3,(H2,6,9,10) |
| InChI Key | PQCNACQWOIFIBK-UHFFFAOYSA-N |
| MDL Number | MFCD01927947 |
| Molecular Formula | C4H6ClN3O2S |
| Molecular Weight | 195.6273 |
| SMILES | CN1C(Cl)=C(S(N)(=O)=O)N=C1 |
| Synonyms | 101258-32-6,
5-chloro-1-methyl-1H-imidazole-4-sulfonamide,
5-chloro-1-methylimidazole-4-sulfonamide,
AC1LO58U,
ZINC987782,
AKOS009243575,
MCULE-1797862332,
NE18759,
AJ-333/09216008,
1H-Imidazole-4-sulfonamide,5-chloro-1-methyl-(9CI),
5-chloro-1-methyl-1H-imidazole-4-sulfonic acid amide,
ZINC00987782,
CID1214440,
1H-Imidazole-4-sulfonamide, 5-chloro-1-methyl- (9CI),
|
| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.987g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.621g/mol |
| Monoisotopic Mass | 194.987g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 86.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number