(4-(Trifluoromethyl)phenyl)thiourea

C₈H₇F₃N₂SCAS 1736-72-7220.21 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₇F₃N₂S
Molar mass: 220.21 g/mol
Exact mass: 220.0282 Da
logP: 2.36Crippen estimate
Polar surface area: 38.0 Å²
H-bond donors / acceptors: 2 / 1
Rotatable bonds: 1

Identifiers

CAS number

1736-72-7

SMILES

C1=CC(=CC=C1C(F)(F)F)NC(=S)N

InChIKey

OWTDDZMFRLUBQI-UHFFFAOYSA-N

InChI

InChI=1S/C8H7F3N2S/c9-8(10,11)5-1-3-6(4-2-5)13-7(12)14/h1-4H,(H3,12,13,14)

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

Names and synonyms

1 names

1-[4-(Trifluoromethyl)phenyl]-2-thiourea

Work with (4-(Trifluoromethyl)phenyl)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

1-[3,5-Bis(trifluoromethyl)phenyl]-2-thiourea175277-17-568 % similar 4-[4-(Trifluoromethyl)phenyl]-3-thiosemicarbazide206761-90-262 % similar 1-(4-(Trifluoromethoxy)phenyl)-2-thiourea142229-74-160 % similar 1-(2-Chloro-5-(trifluoromethyl)phenyl)thiourea21714-35-255 % similar 4-Trifluoromethylphenylhydrazine368-90-153 % similar (4-(Trifluoromethyl)phenyl)hydrazine hydrochloride2923-56-048 % similar 4-(Trifluoromethyl)benzenecarbothioamide72505-21-648 % similar N-(Chloroacetyl)-4-(trifluoromethyl)aniline2707-23-547 % similar

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

Same formula

3-(Trifluoromethyl)phenylthiourea1736-70-5 N-[2-(Trifluoromethyl)phenyl]thiourea1736-71-6

Elsewhere

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