chempirical

2-(Trifluoromethoxy)thiophenol

C7H5F3OSCAS 175278-01-0194.17 g/mol

Open in Covalent MOL file
OFFFSH
Alkyl halideEtherThiol

Properties

Molecular formula
C7H5F3OS
Molar mass
194.17 g/mol
Exact mass
194.0013 Da
logP
2.87Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
175278-01-0
SMILES
C1=CC=C(C(=C1)OC(F)(F)F)S
InChIKey
CIIRSPLZNQRPGX-UHFFFAOYSA-N
InChI
InChI=1S/C7H5F3OS/c8-7(9,10)11-5-3-1-2-4-6(5)12/h1-4,12H

Weigh it out

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

Work with 2-(Trifluoromethoxy)thiophenol

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

2-Trifluoromethoxyaniline1535-75-753 % similar 1-Iodo-2-(trifluoromethoxy)benzene175278-00-953 % similar 2-(Trifluoromethoxy)benzonitrile63968-85-450 % similar 2-(Trifluoromethoxy)benzenemethanamine175205-64-848 % similar 2-(Trifluoromethoxy)benzenemethanol175278-07-648 % similar 2-Methoxybenzenethiol7217-59-648 % similar (Trifluoromethoxy)benzene456-55-346 % similar 2-(Trifluoromethoxy)benzamide127979-74-246 % similar

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

Same formula

4-(Trifluoromethoxy)thiophenol169685-29-4 3-(Trifluoromethoxy)benzenethiol220239-66-7

Elsewhere

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