4-(Benzylsulfanyl)-3-hydroxy-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione
Basic information
- CAS
87947-54-4- Standard SMILES
O=S1(=O)C=C(SCc2ccccc2)C(O)C1- InChIKey
CEWUYAFJOVRINH-UHFFFAOYSA-N- Molecular formula
- C11H12O3S2
- Average molar mass
- 256.3 g/mol
- Monoisotopic mass
- 256.02278659
Names & identifiers
- Preferred name
- 4-(Benzylsulfanyl)-3-hydroxy-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione
- IUPAC
- 4-benzylsulfanyl-1,1-dioxo-2,3-dihydrothiophen-3-ol
Names & synonyms
87947-54-4DTXSID505223284-(Benzylsulfanyl)-3-hydroxy-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione
Database identifiers
- CAS
87947-54-4- PubChem CID
- 13150034
- DTXSID
DTXSID50522328
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 361
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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