Hexahydro-1H-4,7-epoxy-3a,7a-(methanothiomethano)indene-8,10-dione
Basic information
- CAS
127311-86-8- Standard SMILES
O=C1SC(=O)C23CCCC12C1CCC3O1- InChIKey
OURAZKBVXBNBGB-UHFFFAOYSA-N- Molecular formula
- C11H12O3S
- Average molar mass
- 224.28 g/mol
- Monoisotopic mass
- 224.05071541
Names & identifiers
- Preferred name
- Hexahydro-1H-4,7-epoxy-3a,7a-(methanothiomethano)indene-8,10-dione
- IUPAC
- 13-oxa-8-thiatetracyclo[4.3.3.12,5.01,6]tridecane-7,9-dione
Names & synonyms
127311-86-8DTXSID80925848Hexahydro-1H-4,7-epoxy-3a,7a-(methanothiomethano)indene-8,10-dioneRefChem:1086543DTXCID4013546721H,3H-4,7-Epoxy-3a,7a-propanobenzo(c)thiophene-1,3-dione, tetrahydro-, (3a-alpha,4-beta,7-beta,7a-alpha)-
Database identifiers
- CAS
127311-86-8- PubChem CID
- 3080107
- DTXSID
DTXSID80925848
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 68.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 359
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Related reactions
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Compound notes
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