Basic information
- CAS
92688-80-7- Standard SMILES
O=S1(=O)CC2C3C=CC(C3)C2C1- InChIKey
QXFZZULXEGYJJE-UHFFFAOYSA-N- Molecular formula
- C9H12O2S
- Average molar mass
- 184.26 g/mol
- Monoisotopic mass
- 184.05580079
Names & identifiers
- Preferred name
- 4,7-Methanobenzo(b)thiophene, 2,3,3a,4,7,7a-hexahydro-1,1-dioxide, (3aalpha,4alpha,7alpha,7aalpha)-
- IUPAC
- 4λ6-thiatricyclo[5.2.1.02,6]dec-8-ene 4,4-dioxide
Names & synonyms
92688-80-74,7-Methanobenzo(b)thiophene, 2,3,3a,4,7,7a-hexahydro-1,1-dioxide, (3aalpha,4alpha,7alpha,7aalpha)-SCHEMBL658445DTXSID20919009RCL T1895964,7-Methanobenzo[b]thiophene, 2,3,3a,4,7,7a-hexahydro-1,1-dioxideAKOS0243218051,3,3a,4,7,7a-Hexahydro-2H-4,7-methano-2lambda~6~-2-benzothiophene-2,2-dione4,7-Methanobenzo[b]thiophene, 2,3,3a,4,7,7a-hexahydro-1,1-dioxide, (3a.alpha.,4.alpha.,7.alpha.,7a.alpha.)-
Database identifiers
- CAS
92688-80-7- PubChem CID
- 145259
- DTXSID
DTXSID20919009
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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