Benzyl trifluoromethyl sulfide

C₈H₇F₃SCAS 351-60-0192.20 g/mol

Open in Covalent MOL file

Alkyl halide Sulfide

Properties

Molecular formula: C₈H₇F₃S
Molar mass: 192.20 g/mol
Exact mass: 192.0221 Da
logP: 3.44Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

351-60-0

SMILES

C1=CC=C(C=C1)CSC(F)(F)F

InChIKey

OUYBCTGEJCWZHL-UHFFFAOYSA-N

InChI

InChI=1S/C8H7F3S/c9-8(10,11)12-6-7-4-2-1-3-5-7/h1-5H,6H2

Weigh it out

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Work with Benzyl trifluoromethyl sulfide

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

Dibenzyl disulfide150-60-750 % similar Dibenzyl sulfide538-74-950 % similar [(Trifluoromethyl)thio]benzene456-56-444 % similar Benzyl methyl sulfide766-92-744 % similar Benzyl phenyl sulfide831-91-444 % similar 3,3,3-Trifluoropropylbenzene1579-80-243 % similar Tropeolin3012-37-141 % similar Benzyl methyl disulfide699-10-541 % similar

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

Same formula

3-(Trifluoromethyl)benzyl mercaptan25697-55-6

Elsewhere

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