1-(Pyridin-3-ylmethyl)-3-[2-(trifluoromethyl)phenyl]thiourea
Basic information
- CAS
701932-34-5- Standard SMILES
FC(F)(F)c1ccccc1NC(=S)NCc1cccnc1- InChIKey
MMWLSBJVPGRSBO-UHFFFAOYSA-N- Molecular formula
- C14H12F3N3S
- Average molar mass
- 311.33 g/mol
- Monoisotopic mass
- 311.07040306
Names & identifiers
- Preferred name
- 1-(Pyridin-3-ylmethyl)-3-[2-(trifluoromethyl)phenyl]thiourea
- IUPAC
- 1-(pyridin-3-ylmethyl)-3-[2-(trifluoromethyl)phenyl]thiourea
Names & synonyms
1-(pyridin-3-ylmethyl)-3-[2-(trifluoromethyl)phenyl]thioureaSCHEMBL5448095MMWLSBJVPGRSBO-UHFFFAOYSA-NSTK457213AKOS003335977ST50561300SR-01000276048SR-01000276048-1N-(3-pyridinylmethyl)-N'-[2-(trifluoromethyl)phenyl]thiourea1-PYRIDIN-3-YLMETHYL-3-(2-TRIFLUOROMETHYL-PHENYL)-THIOUREA[(3-pyridylmethyl)amino]{[2-(trifluoromethyl)phenyl]amino}methane-1-thione
Database identifiers
- CAS
701932-34-5- PubChem CID
- 970029
- EC Number
- 158-790-9
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 69 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 349
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Compound notes
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