4-(Trifluoromethyl)benzenecarbothioamide

C₈H₆F₃NSCAS 72505-21-6205.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₆F₃NS
Molar mass: 205.20 g/mol
Exact mass: 205.0173 Da
Melting point: 135–136 °C
logP: 2.34Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

72505-21-6

SMILES

NC(=S)c1ccc(C(F)(F)F)cc1

InChIKey

IPRFNMJROWWFBH-UHFFFAOYSA-N

InChI

InChI=1S/C8H6F3NS/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H2,12,13)

Weigh it out

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

Names and synonyms

5 names

Benzenecarbothioamide, 4-(trifluoromethyl)-
4-(Trifluoromethyl)thiobenzamide
p-(Trifluoromethyl)thiobenzamide
4-(Trifluoromethyl)benzene-1-carbothioamide
4-(Trifluoromethyl)benzothioamide

Work with 4-(Trifluoromethyl)benzenecarbothioamide

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-(1,1-Dimethylethyl)benzenecarbothioamide57774-77-362 % similar 4-Fluorothiobenzamide22179-72-257 % similar 4-(Trifluoromethyl)benzamide1891-90-355 % similar 4-Aminobenzenecarbothioamide4714-67-454 % similar 1,4-Bis(trifluoromethyl)benzene433-19-252 % similar 4-Methylbenzenecarbothioamide2362-62-152 % similar N-Hydroxy-4-(trifluoromethyl)benzenecarboximidamide22179-86-848 % similar 4-(Trifluoromethyl)benzoyl fluoride368-94-548 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook