| CAS Number | 71254-64-3 |
| Catalog Number | AG01BR2R |
| Chemical Name | 5-methyl-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-1,1,3-trione |
| IUPAC Name | 5-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one |
| InChI | InChI=1S/C8H8N2O3S/c1-5-3-2-4-6-7(5)9-8(11)10-14(6,12)13/h2-4H,1H3,(H2,9,10,11) |
| InChI Key | RISXVHCQQZRPFT-UHFFFAOYSA-N |
| MDL Number | MFCD16308381 |
| Molecular Formula | C8H8N2O3S |
| Molecular Weight | 212.2257 |
| SMILES | CC1=C2NC(NS(=O)(=O)C2=CC=C1)=O |
| Synonyms | 71254-64-3,
ZINC41226197,
AKOS022304988,
5-methyl-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-1,1,3-trione,
|
| Complexity | 346 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.223g/mol |
| Monoisotopic Mass | 212.026g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 83.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number