chempirical

3-(Trifluoromethyl)thiobenzamide

C8H6F3NSCAS 53515-17-6205.20 g/mol

Open in Covalent MOL file
FFFSNH2
Alkyl halide

Properties

Molecular formula
C8H6F3NS
Molar mass
205.20 g/mol
Exact mass
205.0173 Da
logP
2.34Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

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
53515-17-6
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C(=S)N
InChIKey
WOJQBHSZMFRQIR-UHFFFAOYSA-N
InChI
InChI=1S/C8H6F3NS/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H2,12,13)

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Names and synonyms

1 names
  • 3-Trifluoromethylthiobenzamide

Work with 3-(Trifluoromethyl)thiobenzamide

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

3,3'-Bis(trifluoromethyl)benzophenone1868-00-458 % similar 3-Chloro-thiobenzamide2548-79-055 % similar 3-(Trifluoromethyl)benzoyl fluoride328-99-454 % similar 3-(Trifluoromethyl)benzamidoxime40067-80-954 % similar 3,5-Bis(trifluoromethyl)benzene402-31-354 % similar 3-Hydroxy-thiobenzamide104317-54-653 % similar 3-(Trifluoromethyl)benzamide1801-10-153 % similar 3-(Trifluoromethyl)benzoyl chloride2251-65-253 % similar

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

Same formula

4-(Trifluoromethyl)benzenecarbothioamide72505-21-6

Elsewhere

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