Basic information
- CAS
87947-23-7- Standard SMILES
O=S1CC2CCCC(C2)C1- InChIKey
PJPCRNLBRJNBQQ-UHFFFAOYSA-N- Molecular formula
- C8H14OS
- Average molar mass
- 158.26 g/mol
- Monoisotopic mass
- 158.07653624
Names & identifiers
- Preferred name
- 3-Thiabicyclo[3.3.1]nonane, 3-oxide
- IUPAC
- 3λ4-thiabicyclo[3.3.1]nonane 3-oxide
Names & synonyms
3-Thiabicyclo[3.3.1]nonane, 3-oxide87947-23-7DTXSID90340523PJPCRNLBRJNBQQ-UHFFFAOYSA-N3-Thiabicyclo[3.3.1]nonane S-oxide3-Thiabicyclo[3.3.1]nonane 3-oxide #3lambda~4~-Thiabicyclo[3.3.1]nonan-3-one
Database identifiers
- CAS
87947-23-7- PubChem CID
- 565400
- DTXSID
DTXSID90340523
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 141
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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