Basic information
- CAS
106400-04-8- Standard SMILES
NS(=O)(=O)c1cc2c(s1)S(=O)(=O)CCC2O- InChIKey
MAZCFXDIYXGRAD-UHFFFAOYSA-N- Molecular formula
- C7H9NO5S3
- Average molar mass
- 283.4 g/mol
- Monoisotopic mass
- 282.96428539
Names & identifiers
- Preferred name
- 5,6-Dihydro-4-hydroxy-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide
- IUPAC
- 4-hydroxy-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
Names & synonyms
CHEMBL314569MAZCFXDIYXGRAD-UHFFFAOYSA-N5,6-Dihydro-4-hydroxy-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide105951-30-2SCHEMBL1804003DTXSID00872123BDBM500177274-hydroxy-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide106400-04-85,6-dihydro-4-hydroxy-4H-thieno[2,3-b]thiopyran-2-sulfonamide-7,7-dioxide4-Hydroxy-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide4-Hydroxy-7,7-dioxo-4,5,6,7-tetrahydro-7lambda~6~-thieno[2,3-b]thiopyran-2-sulfonamide
Show more names
(R) 4-Hydroxy-7,7-dioxo-4,5,6,7-tetrahydro-7lambda*6*-thieno[2,3-b]thiopyran-2-sulfonic acid amide(R)-4-Hydroxy-7,7-dioxo-4,5,6,7-tetrahydro-7lambda*6*-thieno[2,3-b]thiopyran-2-sulfonic acid amide(S) 4-Hydroxy-7,7-dioxo-4,5,6,7-tetrahydro-7lambda*6*-thieno[2,3-b]thiopyran-2-sulfonic acid amide(S)-4-Hydroxy-7,7-dioxo-4,5,6,7-tetrahydro-7lambda*6*-thieno[2,3-b]thiopyran-2-sulfonic acid amide4-Hydroxy-7,7-dioxo-4,5,6,7-tetrahydro-7lambda*6*-thieno[2,3-b]thiopyran-2-sulfonic acid amide
Database identifiers
- CAS
106400-04-8- PubChem CID
- 13617012
- DTXSID
DTXSID00872123- ChEMBL
CHEMBL314569
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 473
Related reactions
4 records
Compound notes
Loading…