1-(2-Chloro-5-(trifluoromethyl)phenyl)thiourea

C₈H₆ClF₃N₂SCAS 21714-35-2254.66 g/mol

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Alkyl halide Aryl halide

Properties

Molecular formula: C₈H₆ClF₃N₂S
Molar mass: 254.66 g/mol
Exact mass: 253.9892 Da
logP: 3.01Crippen estimate
Polar surface area: 38.0 Å²
H-bond donors / acceptors: 2 / 1
Rotatable bonds: 1

Identifiers

CAS number

21714-35-2

SMILES

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

InChIKey

GCEQZLQDKSFFEF-UHFFFAOYSA-N

InChI

InChI=1S/C8H6ClF3N2S/c9-5-2-1-4(8(10,11)12)3-6(5)14-7(13)15/h1-3H,(H3,13,14,15)

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Names and synonyms

1 names

(2-Chloro-5-trifluoromethyl)phenylthiourea

Work with 1-(2-Chloro-5-(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-[2-Chloro-5-(trifluoromethyl)phenyl]hydrazine1869-22-362 % similar 3-(Trifluoromethyl)phenylthiourea1736-70-557 % similar (4-(Trifluoromethyl)phenyl)thiourea1736-72-755 % similar 1-[3,5-Bis(trifluoromethyl)phenyl]-2-thiourea175277-17-551 % similar 3,4-Dichlorobenzotrifluoride328-84-750 % similar 2-Chloro-5-(trifluoromethyl)aniline121-50-649 % similar 2,4-Bis(trifluoromethyl)chlorobenzene327-76-447 % similar 4-Chloro-3-fluorobenzotrifluoride32137-20-546 % similar

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

Elsewhere

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