S-Phenyl benzamidoethanethioate
Basic information
- CAS
6331-51-7- Standard SMILES
O=C(CNC(=O)c1ccccc1)Sc1ccccc1- InChIKey
OZADJLCOIBLGIK-UHFFFAOYSA-N- Molecular formula
- C15H13NO2S
- Average molar mass
- 271.3 g/mol
- Monoisotopic mass
- 271.06669983
Names & identifiers
- Preferred name
- S-Phenyl benzamidoethanethioate
- IUPAC
- S-phenyl 2-benzamidoethanethioate
Names & synonyms
MLS0026087996331-51-7NSC47092S-Phenyl benzamidoethanethioateCHEMBL1867585DTXSID00286721HMS3085M07NSC-47092SMR001527540
Database identifiers
- CAS
6331-51-7- PubChem CID
- 240663
- DTXSID
DTXSID00286721- ChEMBL
CHEMBL1867585
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 71.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 307
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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