Basic information
- CAS
92688-77-2- Standard SMILES
O=S1(=O)CC2C3C=CC(O3)C2C1- InChIKey
LZYHNFUJIJXOLB-UHFFFAOYSA-N- Molecular formula
- C8H10O3S
- Average molar mass
- 186.23 g/mol
- Monoisotopic mass
- 186.03506535
Names & identifiers
- Preferred name
- 4,7-Epoxybenzo(c)thiophene, 1,3,3a,4,7,7a-hexahydro-2,2-dioxide, (3aalpha,4beta,7beta,7aalpha)-
- IUPAC
- 10-oxa-4λ6-thiatricyclo[5.2.1.02,6]dec-8-ene 4,4-dioxide
Names & synonyms
92688-77-24,7-Epoxybenzo(c)thiophene, 1,3,3a,4,7,7a-hexahydro-2,2-dioxide, (3aalpha,4beta,7beta,7aalpha)-DTXSID509190121,3,3a,4,7,7a-Hexahydro-2H-4,7-epoxy-2lambda~6~-2-benzothiophene-2,2-dione4,7-Epoxybenzo[c]thiophene, 1,3,3a,4,7,7a-hexahydro-2,2-dioxide, (3a.alpha.,4.beta.,7.beta.,7a.alpha.)-
Database identifiers
- CAS
92688-77-2- PubChem CID
- 145256
- DTXSID
DTXSID50919012
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 312
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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