1-(4-(Trifluoromethoxy)phenyl)-2-thiourea

C₈H₇F₃N₂OSCAS 142229-74-1236.21 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₈H₇F₃N₂OS
Molar mass: 236.21 g/mol
Exact mass: 236.0231 Da
logP: 2.24Crippen estimate
Polar surface area: 47.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Identifiers

CAS number

142229-74-1

SMILES

C1=CC(=CC=C1NC(=S)N)OC(F)(F)F

InChIKey

UCOXNOVULREFCO-UHFFFAOYSA-N

InChI

InChI=1S/C8H7F3N2OS/c9-8(10,11)14-6-3-1-5(2-4-6)13-7(12)15/h1-4H,(H3,12,13,15)

Weigh it out

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

Work with 1-(4-(Trifluoromethoxy)phenyl)-2-thiourea

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)phenylhydrazine hydrochloride133115-72-751 % similar 4-(Trifluoromethoxy)aniline461-82-546 % similar 1-Fluoro-4-(trifluoromethoxy)benzene352-67-043 % similar 4-(Trifluoromethoxy)benzylamine93919-56-342 % similar 1-Bromo-4-(trifluoromethoxy)benzene407-14-742 % similar 1-Chloro-4-(trifluoromethoxy)benzene461-81-442 % similar 1-Methoxy-4-(trifluoromethoxy)benzene710-18-942 % similar 4-(Trifluoromethoxy)phenol828-27-342 % similar

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

Elsewhere

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