Basic information
- CAS
84473-68-7- Standard SMILES
CC(=S)OCC(C)C1CC=C(C)CC1- InChIKey
KBGYYGHPKSSKMW-UHFFFAOYSA-N- Molecular formula
- C12H20OS
- Average molar mass
- 212.35 g/mol
- Monoisotopic mass
- 212.12348643
Names & identifiers
- Preferred name
- S-(2-(4-methyl-3-cyclohexen-1-yl)propyl) ethanethioate
- IUPAC
- O-[2-(4-methylcyclohex-3-en-1-yl)propyl] ethanethioate
Names & synonyms
EINECS 282-923-084473-68-7S-(2-(4-Methyl-3-cyclohexen-1-yl)propyl) ethanethioateS-[2-(4-methyl-3-cyclohexen-1-yl)propyl] ethanethioateRefChem:180497282-923-0KBGYYGHPKSSKMW-UHFFFAOYSA-NDTXSID701004743O-[2-(4-methylcyclohex-3-en-1-yl)propyl] ethanethioate
Database identifiers
- CAS
84473-68-7- PubChem CID
- 44149293
- DTXSID
DTXSID701004743- EC Number
- 282-923-0
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 41.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 232
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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