chempirical

4-[(Trifluoromethyl)thio]benzenamine

C7H6F3NSCAS 372-16-7193.19 g/mol

Open in Covalent MOL file
H2NSFFF
Alkyl halidePrimary amineSulfide

Properties

Molecular formula
C7H6F3NS
Molar mass
193.19 g/mol
Exact mass
193.0173 Da
Boiling point
102–103 °C (at 8 Torr)
logP
2.88Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
372-16-7
SMILES
Nc1ccc(SC(F)(F)F)cc1
InChIKey
OHHHTUXVBNGOGI-UHFFFAOYSA-N
InChI
InChI=1S/C7H6F3NS/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4H,11H2

Weigh it out

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

Names and synonyms

12 names
  • Benzenamine, 4-[(trifluoromethyl)thio]-
  • Aniline, p-[(trifluoromethyl)thio]-
  • p-[(Trifluoromethyl)thio]aniline
  • 4-[(Trifluoromethyl)mercapto]benzenamine
  • 4-Trifluoromethylthioaniline
  • p-Aminophenyl trifluoromethyl sulfide
  • 4-(Trifluoromethanethio)aniline
  • 4-Trifluoromethylsulfanylphenylamine
  • 4-Trifluoromethylsulfanylaniline
  • p-Trifluoromethylsulfanylphenylamine
  • 4-(Trifluoromethylsufanyl)phenylamine
  • 4-Aminophenyl trifluoromethylsulfide

Work with 4-[(Trifluoromethyl)thio]benzenamine

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

[(Trifluoromethyl)thio]benzene456-56-456 % similar 1-Chloro-4-[(trifluoromethyl)thio]benzene407-16-956 % similar 4-(Trifluoromethylthio)benzylamine128273-56-355 % similar 4,4'-Thiodianiline139-65-150 % similar 1-(Bromomethyl)-4-[(trifluoromethyl)thio]benzene21101-63-350 % similar 4-[(Trifluoromethyl)thio]benzenemethanol56456-52-150 % similar 3-Chloro-4-[(trifluoromethyl)thio]benzenamine64628-74-648 % similar 4-[(Trifluoromethyl)thio]benzoic acid330-17-645 % similar

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

Same formula

2-[(Trifluoromethyl)thio]benzenamine347-55-7 3-[(Trifluoromethyl)thio]benzenamine369-68-6

Elsewhere

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