Basic information
- CAS
69672-55-5- Standard SMILES
CC(=O)Sc1ccccc1C(=O)NC1CCCCC1- InChIKey
NQHAZYBXRNAAOM-UHFFFAOYSA-N- Molecular formula
- C15H19NO2S
- Average molar mass
- 277.4 g/mol
- Monoisotopic mass
- 277.11365002
Names & identifiers
- Preferred name
- S-[2-(cyclohexylcarbamoyl)phenyl] ethanethioate
- IUPAC
- S-[2-(cyclohexylcarbamoyl)phenyl] ethanethioate
Names & synonyms
69672-55-5S-[2-(cyclohexylcarbamoyl)phenyl] ethanethioateNSC327682DTXSID20318235NSC-327682
Database identifiers
- CAS
69672-55-5- PubChem CID
- 332045
- DTXSID
DTXSID20318235
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 71.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 326
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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