Basic information
- Standard SMILES
O=C(NC(=S)Nc1ccc(Cl)c(Cl)c1)c1c(Cl)cccc1Cl- InChIKey
PVKLDLQHFJSDET-UHFFFAOYSA-N- Molecular formula
- C14H8Cl4N2OS
- Average molar mass
- 394.1 g/mol
- Monoisotopic mass
- 391.911145
Names & identifiers
- Preferred name
- 1-(2,6-Dichlorobenzoyl)-3-(3,4-dichlorophenyl)thiourea
- IUPAC
- 2,6-dichloro-N-[(3,4-dichlorophenyl)carbamothioyl]benzamide
Names & synonyms
SCHEMBL9348874PVKLDLQHFJSDET-UHFFFAOYSA-N1-(2,6-Dichlorobenzoyl)-3-(3,4-dichlorophenyl)thioureaN-(2,6-dichlorobenzoyl)-N'-(3,4-dichlorophenyl)-thiourea
Database identifiers
- PubChem CID
- 19006416
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 416
Related reactions
4 records
Compound notes
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