Basic information
- CAS
5458-01-5- Standard SMILES
CCSCCC(N)=O- InChIKey
KXDJDJVYXNEMLM-UHFFFAOYSA-N- Molecular formula
- C5H11NOS
- Average molar mass
- 133.21 g/mol
- Monoisotopic mass
- 133.05613515
Names & identifiers
- Preferred name
- 3-Ethylsulfanylpropanamide
- IUPAC
- 3-ethylsulfanylpropanamide
Names & synonyms
5458-01-53-ethylsulfanylpropanamide3-(ethylsulfanyl)propanamideNSC23775SCHEMBL1073709SCHEMBL11713291DTXSID60281999NSC-23775
Database identifiers
- CAS
5458-01-5- PubChem CID
- 229801
- DTXSID
DTXSID60281999
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 68.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 74.8
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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