Basic information
- Standard SMILES
CSc1ccc(C=CC#N)cc1- InChIKey
CPBJUFSZBCMFHX-UHFFFAOYSA-N- Molecular formula
- C10H9NS
- Average molar mass
- 175.25 g/mol
- Monoisotopic mass
- 175.04557046
Names & identifiers
- Preferred name
- 3-[4-(Methylthio)phenyl]acrylonitrile
- IUPAC
- 3-(4-methylsulfanylphenyl)prop-2-enenitrile
Names & synonyms
3-[4-(methylthio)phenyl]acrylonitrileSCHEMBL7876660CPBJUFSZBCMFHX-UHFFFAOYSA-NAKOS017269573
Database identifiers
- PubChem CID
- 4239680
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 49.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 193
Related reactions
5 records
Compound notes
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