Basic information
- CAS
827024-48-6- Standard SMILES
CCCCC1CCCC(S)CCC1- InChIKey
NMYVAAGYVVILKI-UHFFFAOYSA-N- Molecular formula
- C12H24S
- Average molar mass
- 200.39 g/mol
- Monoisotopic mass
- 200.15987194
Names & identifiers
- Preferred name
- 5-Butylcyclooctane-1-thiol
- IUPAC
- 5-butylcyclooctane-1-thiol
Names & synonyms
5-Butylcyclooctane-1-thiol827024-48-6DTXSID10837162
Database identifiers
- CAS
827024-48-6- PubChem CID
- 71417832
- DTXSID
DTXSID10837162
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 112
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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