Basic information
- Standard SMILES
COc1ccc(C(F)(F)F)cc1NC(=S)Nc1cccc(C(F)(F)F)c1- InChIKey
PNEMHIXDGXBPDR-UHFFFAOYSA-N- Molecular formula
- C16H12F6N2OS
- Average molar mass
- 394.3 g/mol
Names & identifiers
- Preferred name
- N-(3-(trifluoromethyl)phenyl)-N'-(2-methoxy-5-(trifluoromethyl)phenyl) thiourea
- IUPAC
- 1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]thiourea
Names & synonyms
N-(3-(trifluoromethyl)phenyl)-N'-(2-methoxy-5-(trifluoromethyl)phenyl) thioureaSCHEMBL8370699
Database identifiers
- PubChem CID
- 54197929
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 65.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 484
Related reactions
2 records
Compound notes
Loading…