4-(Trifluoromethylthio)phenol

C7H5F3OSCAS 461-84-7194.17 g/mol

Open in Covalent MOL file
HOSFFF
Alkyl halidePhenolSulfide

Properties

Molecular formula
C7H5F3OS
Molar mass
194.17 g/mol
Exact mass
194.0013 Da
logP
3.00Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 56 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
461-84-7
SMILES
C1=CC(=CC=C1O)SC(F)(F)F
InChIKey
YYCPTWHVKSATQK-UHFFFAOYSA-N
InChI
InChI=1S/C7H5F3OS/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4,11H

Weigh it out

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

Names and synonyms

1 names
  • 4-(Trifluoromethylsulfanyl)phenol

Work with 4-(Trifluoromethylthio)phenol

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

4-(Trifluoromethylthio)bromobenzene333-47-162 % similar [(Trifluoromethyl)thio]benzene456-56-456 % similar 4-[(Trifluoromethyl)thio]benzenamine372-16-756 % similar 1-Chloro-4-[(trifluoromethyl)thio]benzene407-16-956 % similar 4-((Trifluoromethyl)thio)benzenemethanol56456-52-155 % similar 4-(Trifluoromethylthio)benzylamine128273-56-350 % similar Bis(4-hydroxyphenyl)disulfide15015-57-350 % similar 1-(Bromomethyl)-4-[(trifluoromethyl)thio]benzene21101-63-350 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(Trifluoromethoxy)thiophenol169685-29-4 2-(Trifluoromethoxy)thiophenol175278-01-0 3-(Trifluoromethoxy)benzenethiol220239-66-7 3-(Trifluoromethylthio)phenol3823-40-3

Elsewhere

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