| CAS Number | 1835670-60-4 |
| Catalog Number | AG01BVJV |
| Chemical Name | 1-Ethyl-1,3-dihydro-2lambda6,1,3-benzothiadiazole-2,2-dione |
| IUPAC Name | 3-ethyl-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide |
| InChI | InChI=1S/C8H10N2O2S/c1-2-10-8-6-4-3-5-7(8)9-13(10,11)12/h3-6,9H,2H2,1H3 |
| InChI Key | ADAYVPNTCLDKIV-UHFFFAOYSA-N |
| MDL Number | MFCD30476446 |
| Molecular Formula | C8H10N2O2S |
| Molecular Weight | 198.2422 |
| SMILES | CCN1S(=O)(=O)NC2=C1C=CC=C2 |
| Synonyms | 1-ethyl-1,3-dihydro-2lambda6,1,3-benzothiadiazole-2,2-dione,
1835670-60-4,
SCHEMBL17858470,
ZINC521399635,
|
| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.24g/mol |
| Monoisotopic Mass | 198.046g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number