2-Propenamide, N-[2-(methylthio)ethyl]-
Basic information
- CAS
44818-01-1- Standard SMILES
C=CC(=O)NCCSC- InChIKey
ZVBJETKVMFHLMI-UHFFFAOYSA-N- Molecular formula
- C6H11NOS
- Average molar mass
- 145.23 g/mol
- Monoisotopic mass
- 145.05613515
Names & identifiers
- Preferred name
- 2-Propenamide, N-[2-(methylthio)ethyl]-
- IUPAC
- N-(2-methylsulfanylethyl)prop-2-enamide
Names & synonyms
2-Propenamide, N-[2-(methylthio)ethyl]-44818-01-1SCHEMBL554052DTXSID10437106N-[2-(METHYLSULFANYL)ETHYL]PROP-2-ENAMIDE
Database identifiers
- CAS
44818-01-1- PubChem CID
- 10240938
- DTXSID
DTXSID10437106
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 103
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Compound notes
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