Basic information
- CAS
827024-47-5- Standard SMILES
CCC1CC(S)CCC1C- InChIKey
MJGNVKFYOWUSHC-UHFFFAOYSA-N- Molecular formula
- C9H18S
- Average molar mass
- 158.31 g/mol
- Monoisotopic mass
- 158.11292175
Names & identifiers
- Preferred name
- 3-Ethyl-4-methylcyclohexane-1-thiol
- IUPAC
- 3-ethyl-4-methylcyclohexane-1-thiol
Names & synonyms
3-Ethyl-4-methylcyclohexane-1-thiol827024-47-5SCHEMBL19223467DTXSID70837163
Database identifiers
- CAS
827024-47-5- PubChem CID
- 71417833
- DTXSID
DTXSID70837163
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 101
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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