Basic information
- Standard SMILES
CCCOC(=O)/C(C#N)=C(\N)C(CC)CSC- InChIKey
ZETDAIJHABEVAE-KHPPLWFESA-N- Molecular formula
- C12H20N2O2S
- Average molar mass
- 256.37 g/mol
Names & identifiers
- Preferred name
- n-Propyl (2Z)-3-amino-2-cyano-4-[(methylsulfanyl)methyl]-2-hexenoate
- IUPAC
- propyl (Z)-3-amino-2-cyano-4-(methylsulfanylmethyl)hex-2-enoate
Names & synonyms
SCHEMBL13037050ZETDAIJHABEVAE-KHPPLWFESA-Nn-Propyl (2Z)-3-amino-2-cyano-4-[(methylsulfanyl)methyl]-2-hexenoate
Database identifiers
- PubChem CID
- 59560841
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 331
Related reactions
1 records
Compound notes
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