S-phenyl cyclohex-3-ene-1-carbothioate
Basic information
- CAS
65842-44-6- Standard SMILES
O=C(Sc1ccccc1)C1CC=CCC1- InChIKey
RSXAQIDNMSLWBO-UHFFFAOYSA-N- Molecular formula
- C13H14OS
- Average molar mass
- 218.32 g/mol
- Monoisotopic mass
- 218.07653624
Names & identifiers
- Preferred name
- S-phenyl cyclohex-3-ene-1-carbothioate
- IUPAC
- S-phenyl cyclohex-3-ene-1-carbothioate
Names & synonyms
65842-44-6S-phenyl cyclohex-3-ene-1-carbothioateNSC310536DTXSID40317083NSC-310536
Database identifiers
- CAS
65842-44-6- PubChem CID
- 329233
- DTXSID
DTXSID40317083
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 241
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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