Basic information
- Standard SMILES
FC(F)(F)c1cnc(CNC(=S)NCc2ccccc2)c(Cl)c1- InChIKey
PSYKWWAWLRLLPL-UHFFFAOYSA-N- Molecular formula
- C15H13ClF3N3S
- Average molar mass
- 359.8 g/mol
- Monoisotopic mass
- 359.0470808
Names & identifiers
- Preferred name
- N-Benzyl-N'-(3-chloro-5-trifluoromethyl-2-pyridyl)methylthiourea
- IUPAC
- 1-benzyl-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiourea
Names & synonyms
N-Benzyl-N'-(3-chloro-5-trifluoromethyl-2-pyridyl)methylthioureaSCHEMBL6876211
Database identifiers
- PubChem CID
- 22637232
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 69 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 389
Related reactions
2 records
Compound notes
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