Basic information
- CAS
70509-40-9- Standard SMILES
NC(=O)CCCSc1ccccc1- InChIKey
PLWSHDGLZBEFPL-UHFFFAOYSA-N- Molecular formula
- C10H13NOS
- Average molar mass
- 195.28 g/mol
- Monoisotopic mass
- 195.07178521
Names & identifiers
- Preferred name
- 4-(Phenylsulfanyl)butanamide
- IUPAC
- 4-phenylsulfanylbutanamide
Names & synonyms
70509-40-94-(phenylsulfanyl)butanamideNSC403937SCHEMBL3959624DTXSID80323406AKOS008937801NSC-403937
Database identifiers
- CAS
70509-40-9- PubChem CID
- 345960
- DTXSID
DTXSID80323406
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 68.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 155
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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