8-Thiabicyclo[3.2.1]octan-3-ol
Basic information
- CAS
90049-53-9- Standard SMILES
OC1CC2CCC(C1)S2- InChIKey
MNNKOKPMEUSMNF-UHFFFAOYSA-N- Molecular formula
- C7H12OS
- Average molar mass
- 144.24 g/mol
- Monoisotopic mass
- 144.06088618
Names & identifiers
- Preferred name
- 8-Thiabicyclo[3.2.1]octan-3-ol
- IUPAC
- 8-thiabicyclo[3.2.1]octan-3-ol
Names & synonyms
8-Thiabicyclo[3.2.1]octan-3-olNSC67018190049-53-9NSC670180SCHEMBL3182510DTXSID40301967NSC147633NSC-147633NSC-670180NSC-670181
Database identifiers
- CAS
90049-53-9- PubChem CID
- 287577
- DTXSID
DTXSID40301967- Nikkaji
- J440.119K
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 103
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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