Hexahydro-1H-4,7:5,6-diepoxy-1lambda~4~-1-benzothiophene-1,3(2H)-dione
Basic information
- CAS
127311-87-9- Standard SMILES
O=C1CS(=O)[C@H]2[C@H]3O[C@H]([C@@H]4O[C@@H]43)[C@@H]12- InChIKey
JBQLUJNOBUHWSZ-ZAMCYODWSA-N- Molecular formula
- C8H8O4S
- Average molar mass
- 200.21 g/mol
- Monoisotopic mass
- 200.01432991
Names & identifiers
- Preferred name
- Hexahydro-1H-4,7:5,6-diepoxy-1lambda~4~-1-benzothiophene-1,3(2H)-dione
- IUPAC
- (1S,2R,6S,7S,8S,10S)-3-oxo-9,11-dioxa-3λ4-thiatetracyclo[5.3.1.02,6.08,10]undecan-5-one
Names & synonyms
127311-87-9DTXSID40925849Hexahydro-1H-4,7:5,6-diepoxy-1lambda~4~-1-benzothiophene-1,3(2H)-dioneRefChem:1086544DTXCID1013546735,6-exo-Epoxyendothall thioanhydride2,6-Epoxy(2)benzothieno(5,6-b)oxirene-3,5-dione, hexahydro-, (1a-alpha,2-beta,2a-alpha,5a-alpha,6-beta,6a-alpha)-(3aS,4S,5S,6S,7S,7aR)-Hexahydro-1H-4,7:5,6-diepoxy-1lambda~4~-1-benzothiophene-1,3(2H)-dione
Database identifiers
- CAS
127311-87-9- PubChem CID
- 3080108
- DTXSID
DTXSID40925849
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 75.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 341
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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