1-(Pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea
Basic information
- CAS
56913-83-8- Standard SMILES
FC(F)(F)c1cccc(NC(=S)NCc2ccncc2)c1- InChIKey
JCQQTISWCKGPHY-UHFFFAOYSA-N- Molecular formula
- C14H12F3N3S
- Average molar mass
- 311.33 g/mol
- Monoisotopic mass
- 311.07040306
Names & identifiers
- Preferred name
- 1-(Pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea
- IUPAC
- 1-(pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea
Names & synonyms
1-(pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]thioureaZINC7930156913-83-8HMS551P12ZINC00079301Maybridge1_003686SCHEMBL11642147DTXSID00384539JCQQTISWCKGPHY-UHFFFAOYSA-NMFCD00121907STK064123AKOS003725417
Show more names
S=C(Nc1cccc(c1)C(F)(F)F)NCc1ccncc1ZINC000000079301C1=CC(=CC(=C1)NC(=S)NCC2=CC=NC=C2)C(F)(F)FN(4PYRIDYLMETHYL)N(3(TRIFLUOROMETHYL)PHENYL)THIOUREA1(PYRIDIN4YLMETHYL)3(3(TRIFLUOROMETHYL)PHENYL)THIOUREATHIOUREAN(4PYRIDINYLMETHYL)N(3(TRIFLUOROMETHYL)PHENYL)N-[(Pyridin-4-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]thiourea
Database identifiers
- CAS
56913-83-8- PubChem CID
- 2807300
- DTXSID
DTXSID00384539
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
- 343
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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