| CAS Number | 954581-32-9 |
| Catalog Number | AG019WF0 |
| Chemical Name | N-(6-amino-1,3-benzothiazol-2-yl)ethane-1-sulfonamide |
| IUPAC Name | N-(6-amino-1,3-benzothiazol-2-yl)ethanesulfonamide |
| InChI | InChI=1S/C9H11N3O2S2/c1-2-16(13,14)12-9-11-7-4-3-6(10)5-8(7)15-9/h3-5H,2,10H2,1H3,(H,11,12) |
| InChI Key | UAAOBULBVRRHJQ-UHFFFAOYSA-N |
| MDL Number | MFCD09742667 |
| Molecular Formula | C9H11N3O2S2 |
| Molecular Weight | 257.3325 |
| SMILES | CCS(NC1SC2=C(C=CC(=C2)N)N=1)(=O)=O |
| Synonyms | N-(6-amino-1,3-benzothiazol-2-yl)ethane-1-sulfonamide,
954581-32-9,
AC1Q38DW,
CTK6G4749,
ZINC19261388,
AKOS000149614,
MCULE-3270628199,
NE58370,
EN300-51733,
|
| Complexity | 341 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.326g/mol |
| Monoisotopic Mass | 257.029g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 122A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number