Basic information
- CAS
96009-64-2- Standard SMILES
O=C(NCCCCc1ccccc1)SC1CCCCC1- InChIKey
YMXWZLKGXRCBTF-UHFFFAOYSA-N- Molecular formula
- C17H25NOS
- Average molar mass
- 291.5 g/mol
- Monoisotopic mass
- 291.16568559
Names & identifiers
- Preferred name
- Carbamothioic acid, (4-phenylbutyl)-, S-cyclohexyl ester
- IUPAC
- S-cyclohexyl N-(4-phenylbutyl)carbamothioate
Names & synonyms
Carbamothioic acid, (4-phenylbutyl)-, S-cyclohexyl ester96009-64-2DTXSID00242089S-cyclohexyl (4-phenylbutyl)carbamothioate
Database identifiers
- CAS
96009-64-2- PubChem CID
- 178798
- DTXSID
DTXSID00242089
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 270
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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