| CAS Number | 31263-89-5 |
| Catalog Number | AG01C4PN |
| Chemical Name | 3-Methyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonamide |
| IUPAC Name | 3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide |
| InChI | InChI=1S/C8H8N2O3S2/c1-10-6-3-2-5(15(9,12)13)4-7(6)14-8(10)11/h2-4H,1H3,(H2,9,12,13) |
| InChI Key | UDXNNQHAXIMTFL-UHFFFAOYSA-N |
| MDL Number | MFCD29991319 |
| Molecular Formula | C8H8N2O3S2 |
| Molecular Weight | 244.2907 |
| SMILES | CN1C2=C(C=C(S(N)(=O)=O)C=C2)SC1=O |
| Synonyms | 3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonamide,
31263-89-5,
ZINC225671672,
|
| Complexity | 376 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.998g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.283g/mol |
| Monoisotopic Mass | 243.998g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 114A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number