Pentanethioamide, N-(phenylmethyl)-
Basic information
- CAS
163313-56-2- Standard SMILES
CCCCC(=S)NCc1ccccc1- InChIKey
ZLBCTVCIVXCKFR-UHFFFAOYSA-N- Molecular formula
- C12H17NS
- Average molar mass
- 207.34 g/mol
- Monoisotopic mass
- 207.10817072
Names & identifiers
- Preferred name
- Pentanethioamide, N-(phenylmethyl)-
- IUPAC
- N-benzylpentanethioamide
Names & synonyms
Pentanethioamide, N-(phenylmethyl)-163313-56-2DTXSID70404955RefChem:368154DTXCID40355809N-benzylpentanethioamide
Database identifiers
- CAS
163313-56-2- PubChem CID
- 4617892
- DTXSID
DTXSID70404955- Nikkaji
- J694.724G
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 162
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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