| CAS Number | 1710195-44-0 |
| Catalog Number | AG01C6CJ |
| Chemical Name | 1H,3H,4H-2lambda6-thieno[3,2-c][1,2]thiazine-2,2,4-trione |
| IUPAC Name | 2,2-dioxo-1H-thieno[3,2-c]thiazin-4-one |
| InChI | InChI=1S/C6H5NO3S2/c8-5-3-12(9,10)7-4-1-2-11-6(4)5/h1-2,7H,3H2 |
| InChI Key | HUMUTPNXWODXDQ-UHFFFAOYSA-N |
| MDL Number | MFCD26382710 |
| Molecular Formula | C6H5NO3S2 |
| Molecular Weight | 203.2388 |
| SMILES | O=C1C2=C(C=CS2)NS(=O)(=O)C1 |
| Synonyms | 1710195-44-0,
1H-thieno[3,2-c][1,2]thiazin-4(3H)-one 2,2-dioxide,
ZINC96517042,
AKOS026706430,
F1907-0580,
1H,3H,4H-2Lambda6-thieno[3,2-c][1,2]thiazine-2,2,4-trione,
2,2-dioxo-1H-thieno[3,2-c]thiazin-4-one,
|
| Complexity | 305 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.971g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.23g/mol |
| Monoisotopic Mass | 202.971g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 99.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number