4-Hydroxy-1,3-(2H)-benzoxathiol-2-one
4-hydroxy-1,3-benzoxathiol-2-one
Also Known As: Thioxolone|Tioxolone|Camyna|Stepin|4-hydroxy-1,3-benzoxathiol-2-one|4-Hydroxy-1,3-(2H)-benzoxathiol-2-one|1, 4-hydroxy-|4-Hydroxy-2-oxobenzoxathiol|1,3-Benzoxathiol-2-one, 4-hydroxy-|NCIOpen2_000332|Resorcinol, cyclic thiocarbonate|Resorcinol, cyclic 0,S-carbonate|4-Hydroxy-1,3-benzoxathiol-2-one [INCI]|4-hydroxy-2H-1,3-benzoxathiol-2-one|Thiolcarbonic acid 4-hydroxy-o-phenylene ester|Carbonic acid, cyclic 0,S-ester with 2-mercaptoresorcinol|Carbonic acid, cyclic 0(1),s(2)-3-hydroxy-0-phenylene ester
| Molecular Formula | C7H4O3S |
|---|---|
| Molecular Weight | 167.98811 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 167.98811 |
| Monoisotopic Mass | 167.98811 |
| Heavy Atoms | 11 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 95-18-1 |
|---|---|
| SMILES | C1=CC(=C2C(=C1)OC(=O)S2)O |
| InChIKey | NPSJCZBBMWLOLH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Hydroxy-1,3-(2H)-benzoxathiol-2-one (CAS 95-18-1), with molecular formula C7H4O3S and molecular weight 167.98811 g/mol. IUPAC: 4-hydroxy-1,3-benzoxathiol-2-one.