Basic information
- CAS
128960-23-6- Standard SMILES
CCCC(SCC)C(N)=O- InChIKey
VYXWMJWZQUJONH-UHFFFAOYSA-N- Molecular formula
- C7H15NOS
- Average molar mass
- 161.27 g/mol
- Monoisotopic mass
- 161.08743528
Names & identifiers
- Preferred name
- Pentanamide, 2-(ethylthio)-
- IUPAC
- 2-ethylsulfanylpentanamide
Names & synonyms
Pentanamide, 2-(ethylthio)-128960-23-6RefChem:10944862-(Ethylthio)pentanamide2-Propyl-3-thiapentanamideBRN 17544903-03-00-00610 (Beilstein Handbook Reference)SCHEMBL7452796DTXSID809262592-(Ethylsulfanyl)pentanimidic acid
Database identifiers
- CAS
128960-23-6- PubChem CID
- 3075853
- DTXSID
DTXSID80926259
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 68.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 106
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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