4alpha,8alpha-(Methanothiomethano)naphthalene, 1,2,3,4,5,8-hexahydro-, 10-oxide
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Basic information
- CAS
71600-20-9- Standard SMILES
O=S1CC23CC=CCC2(CCCC3)C1- InChIKey
UUQYOBCIFKDXNP-UHFFFAOYSA-N- Molecular formula
- C12H18OS
- Average molar mass
- 210.34 g/mol
- Monoisotopic mass
- 210.10783637
Names & identifiers
- Preferred name
- 4alpha,8alpha-(Methanothiomethano)naphthalene, 1,2,3,4,5,8-hexahydro-, 10-oxide
- IUPAC
- 12λ4-thiatricyclo[4.4.3.01,6]tridec-3-ene 12-oxide
- English name
- 4alpha,8alpha-(Methanothiomethano)naphthalene, 1,2,3,4,5,8-hexahydro-, 10-oxide
- Molecular formula
- C12H18OS
- Molecular weight
- 210.34
Names & synonyms
71600-20-94alpha,8alpha-(Methanothiomethano)naphthalene, 1,2,3,4,5,8-hexahydro-, 10-oxideDTXSID609921541,2,3,4,5,8-Hexahydro-4a,8a-(methanothiomethano)naphthalen-10-one4.alpha.,8.alpha.-(Methanothiomethano)naphthalene,1,2,3,4,5,8-hexahydro-10-oxide4a,8a-(Methanothiomethano)naphthalene, 1,2,3,4,5,8-hexahydro-, 10-oxide (9CI)
Database identifiers
- CAS
71600-20-9- PubChem CID
- 144497
- DTXSID
DTXSID60992154
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 281
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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