Basic information
- Standard SMILES
CSc1ccc(C(=O)C(=O)c2ccc(Cl)c(Cl)c2)cc1- InChIKey
FTWJUIRYNWMYKN-UHFFFAOYSA-N- Molecular formula
- C15H10Cl2O2S
- Average molar mass
- 325.2 g/mol
Names & identifiers
- Preferred name
- 1-(3,4-Dichlorophenyl)-2-[4-(methylthio)phenyl]ethane-1,2-dione
- IUPAC
- 1-(3,4-dichlorophenyl)-2-(4-methylsulfanylphenyl)ethane-1,2-dione
Names & synonyms
SCHEMBL7088584FTWJUIRYNWMYKN-UHFFFAOYSA-N1-(3,4-dichlorophenyl)-2-[4-(methylthio)phenyl]ethane-1,2-dione
Database identifiers
- PubChem CID
- 18463599
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 367
Related reactions
3 records
Compound notes
Loading…