[4-(Trifluoromethoxy)phenyl]methanethiol

C₈H₇F₃OSCAS 175278-03-2208.20 g/mol

Open in Covalent MOL file

Alkyl halide Ether Thiol

Properties

Molecular formula: C₈H₇F₃OS
Molar mass: 208.20 g/mol
Exact mass: 208.0170 Da
logP: 3.02Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Identifiers

CAS number

175278-03-2

SMILES

C1=CC(=CC=C1CS)OC(F)(F)F

InChIKey

VWLQXXSOXQNHJM-UHFFFAOYSA-N

InChI

InChI=1S/C8H7F3OS/c9-8(10,11)12-7-3-1-6(5-13)2-4-7/h1-4,13H,5H2

Weigh it out

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

Names and synonyms

1 names

4-(Trifluoromethoxy)benzyl mercaptan

Work with [4-(Trifluoromethoxy)phenyl]methanethiol

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-(Trifluoromethoxy)benzenemethanol1736-74-960 % similar 4-Trifluoromethoxybenzyl bromide50824-05-060 % similar 4-(Trifluoromethoxy)benzylamine93919-56-360 % similar 1-Fluoro-4-(trifluoromethoxy)benzene352-67-052 % similar 1-Bromo-4-(trifluoromethoxy)benzene407-14-750 % similar (Trifluoromethoxy)benzene456-55-350 % similar 1-Chloro-4-(trifluoromethoxy)benzene461-81-450 % similar 4-(Trifluoromethoxy)aniline461-82-550 % similar

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

Same formula

4-[(Trifluoromethyl)thio]benzenemethanol56456-52-1

Elsewhere

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