Benzo[c]thiophene, 1,3,3a,4,7,7a-hexahydro-, 2,2-dioxide
Basic information
- CAS
92688-78-3- Standard SMILES
O=S1(=O)CCC2C3C=CC(CC3)C21- InChIKey
DXVRXYKJPYFGNE-UHFFFAOYSA-N- Molecular formula
- C10H14O2S
- Average molar mass
- 198.28 g/mol
- Monoisotopic mass
- 198.07145086
Names & identifiers
- Preferred name
- Benzo[c]thiophene, 1,3,3a,4,7,7a-hexahydro-, 2,2-dioxide
- IUPAC
- 3λ6-thiatricyclo[5.2.2.02,6]undec-8-ene 3,3-dioxide
- English name
- 4,7-Ethanobenzo(c)thiophene, 1,3,3a,4,7,7a-hexahydro-2,2-oxide, (3aalp ha,4alpha,7alpha,+-,7aalpha)-
- Molecular formula
- C10H14O2S
- Molecular weight
- 198.28
Names & synonyms
92688-78-3Benzo[c]thiophene, 1,3,3a,4,7,7a-hexahydro-, 2,2-dioxideDTXSID909190114,7-Ethanobenzo(c)thiophene, 1,3,3a,4,7,7a-hexahydro-2,2-oxide, (3aalpha,4alpha,7alpha,+-,7aalpha)-2,3,3a,4,7,7a-Hexahydro-1H-4,7-ethano-1lambda~6~-1-benzothiophene-1,1-dione4,7-Ethanobenzo[c]thiophene, 1,3,3a,4,7,7a-hexahydro-2,2-oxide, (3a.alpha.,4.alpha.,7.alpha.,.+/-.,7a.alpha.)-4,7-Ethanobenzo[c]thiophene, 1,3,3a,4,7,7a-hexahydro-, 2,2-dioxide, (3aR,4S,7R,7aS)-rel-4,7-Ethanobenzo(c)thiophene, 1,3,3a,4,7,7a-hexahydro-2,2-oxide, (3aalp ha,4alpha,7alpha,+-,7aalpha)-
Database identifiers
- CAS
92688-78-3- PubChem CID
- 145257
- DTXSID
DTXSID90919011
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 350
Physicochemical properties
- Boiling point
- 380.1 · 380.1±31.0 °C(Predicted)
- Density
- 1.262 · 1.262±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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