4alpha,8alpha-(Methanothiomethano)naphthalene, 1,4,5,8-tetrahydro-, 10,10-dioxide
Basic information
- CAS
17853-54-2- Standard SMILES
O=S1(=O)CC23CC=CCC2(CC=CC3)C1- InChIKey
ONSLAKZHKJHODY-UHFFFAOYSA-N- Molecular formula
- C12H16O2S
- Average molar mass
- 224.32 g/mol
- Monoisotopic mass
- 224.08710092
Names & identifiers
- Preferred name
- 4alpha,8alpha-(Methanothiomethano)naphthalene, 1,4,5,8-tetrahydro-, 10,10-dioxide
- IUPAC
- 12λ6-thiatricyclo[4.4.3.01,6]trideca-3,8-diene 12,12-dioxide
Names & synonyms
17853-54-24alpha,8alpha-(Methanothiomethano)naphthalene, 1,4,5,8-tetrahydro-, 10,10-dioxideNSC151809DTXSID70170502RCL T169560AKOS024321442NSC 151809NSC-1518091,4,5,8-Tetrahydro-4a,8a-(methanothiomethano)naphthalene-10,10-dione4.alpha.,8.alpha.-(Methanothiomethano)naphthalene,1,4,5,8-tetrahydro-10,10-dioxide
Database identifiers
- CAS
17853-54-2- PubChem CID
- 140288
- DTXSID
DTXSID70170502
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 385
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Compound notes
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