4-[(Trifluoromethyl)thio]benzenamine

C₇H₆F₃NSCAS 372-16-7193.19 g/mol

Open in Covalent MOL file

Alkyl halide Primary amine Sulfide

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 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed89.1% of notifiers
H312 Harmful in contact with skin97.8% of notifiers
H315 Causes skin irritation15.2% of notifiers
H319 Causes serious eye irritation15.2% of notifiers
H332 Harmful if inhaled97.8% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P501

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

13 names · show all

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
4-((Trifluoromethyl)thio)aniline

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 4-(Trifluoromethylthio)bromobenzene333-47-156 % similar 1-Chloro-4-[(trifluoromethyl)thio]benzene407-16-956 % similar 4-(Trifluoromethylthio)phenol461-84-756 % similar 4-(Trifluoromethylthio)benzylamine128273-56-355 % similar 4,4′-Thiodianiline139-65-150 % similar 1-(Bromomethyl)-4-[(trifluoromethyl)thio]benzene21101-63-350 % similar 4-(Trifluoromethylthio)benzonitrile332-26-350 % 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

PubChem CAS Common Chemistry NIST WebBook