Basic information
- Standard SMILES
N#CCCC(C#N)CSc1ccc(Cl)c(Cl)c1- InChIKey
VQPFOMRSQNHPQB-UHFFFAOYSA-N- Molecular formula
- C12H10Cl2N2S
- Average molar mass
- 285.2 g/mol
- Monoisotopic mass
- 283.9941749
Names & identifiers
- Preferred name
- 2-(3,4-Dichlorophenylthiomethyl)glutaronitrile
- IUPAC
- 2-[(3,4-dichlorophenyl)sulfanylmethyl]pentanedinitrile
Names & synonyms
SCHEMBL9647414VQPFOMRSQNHPQB-UHFFFAOYSA-N2-(3,4-dichlorophenylthiomethyl)glutaronitrile
Database identifiers
- PubChem CID
- 19879352
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 330
Related reactions
2 records
Compound notes
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