3-(Phenylthio)propionamide

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Basic information

CAS: 97721-47-6
Standard SMILES: NC(=O)CCSc1ccccc1
InChIKey: GLULYPZZPZSRAP-UHFFFAOYSA-N
Molecular formula: C9H11NOS
Average molar mass: 181.26 g/mol
Monoisotopic mass: 181.05613515

Names & identifiers

Preferred name: 3-(Phenylthio)propionamide
IUPAC: 3-phenylsulfanylpropanamide
English name: 3-(Phenylthio)propionamide
Molecular formula: C9H11NOS
Molecular weight: 181.25474

Names & synonyms

3-(PHENYLTHIO)PROPIONAMIDE97721-47-6DTXSID70469685RefChem:275851DTXCID604205033-(PHENYLSULFANYL)PROPANAMIDEPropanamide,3-(phenylthio)-SCHEMBL953806SCHEMBL953807AKOS005233949Z33547211

Database identifiers

CAS: 97721-47-6
PubChem CID: 11629695
DTXSID: DTXSID70469685
Nikkaji: J1.003.238E

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 68.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 12
Formal charge: 0
Complexity: 143

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Compound notes

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