chempirical

N-[2-(Trifluoromethyl)phenyl]thiourea

C8H7F3N2SCAS 1736-71-6220.21 g/mol

Open in Covalent MOL file
NHHSHNFFF
Alkyl halideThiol

Properties

Molecular formula
C8H7F3N2S
Molar mass
220.21 g/mol
Exact mass
220.0282 Da
logP
2.98Crippen estimate
Polar surface area
35.9 Ų
H-bond donors / acceptors
3 / 1
Rotatable bonds
1

Identifiers

CAS number
1736-71-6
SMILES
N=C(S)Nc1ccccc1C(F)(F)F
InChIKey
FVXFFFHGYOYYQX-UHFFFAOYSA-N
InChI
InChI=1S/C8H7F3N2S/c9-8(10,11)5-3-1-2-4-6(5)13-7(12)14/h1-4H,(H3,12,13,14)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • Thiourea, N-[2-(trifluoromethyl)phenyl]-
  • Urea, 2-thio-1-(α,α,α-trifluoro-o-tolyl)-
  • Thiourea, [2-(trifluoromethyl)phenyl]-
  • o-(Trifluoromethyl)phenylthiourea
  • [2-(Trifluoromethyl)phenyl]thiourea
  • 1-[2-(Trifluoromethyl)phenyl]-2-thiourea

Work with N-[2-(Trifluoromethyl)phenyl]thiourea

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-(2-Fluorophenyl)thiourea656-32-657 % similar (2-Chlorophenyl)thiourea5344-82-153 % similar O-Tolylthiourea614-78-853 % similar Alpha-naphthylthiourea86-88-451 % similar [2-(Trifluoromethyl)phenyl]hydrazine365-34-450 % similar (2-Methoxyphenyl)thiourea1516-37-649 % similar N-Methyl-2-(trifluoromethyl)benzenamine14925-10-149 % similar 1,2-Bis(trifluoromethyl)benzene433-95-448 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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