N-(2,4,6-Trichlorophenyl)thiourea

C₇H₅Cl₃N₂SCAS 31118-87-3255.54 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₅Cl₃N₂S
Molar mass: 255.54 g/mol
Exact mass: 253.9239 Da
logP: 3.30Crippen estimate
Polar surface area: 38.0 Å²
H-bond donors / acceptors: 2 / 1
Rotatable bonds: 1

Identifiers

CAS number

31118-87-3

SMILES

C1=C(C=C(C(=C1Cl)NC(=S)N)Cl)Cl

InChIKey

ZUSZPZPGZMEXLA-UHFFFAOYSA-N

InChI

InChI=1S/C7H5Cl3N2S/c8-3-1-4(9)6(5(10)2-3)12-7(11)13/h1-2H,(H3,11,12,13)

Weigh it out

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

Names and synonyms

1 names

1-(2,4,6-Trichlorophenyl)-2-thiourea

Work with N-(2,4,6-Trichlorophenyl)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

3,5-Dichlorophenylthiourea107707-33-561 % similar (2,4,6-Trichlorophenyl)hydrazine5329-12-452 % similar 5,7-Dichloroisatin6374-92-145 % similar 1-(2-Chloro-5-(trifluoromethyl)phenyl)thiourea21714-35-244 % similar 2-(3,4-Dichlorophenyl)-1-hydrazinecarbothioamide13124-09-941 % similar 2,4-Dichloro-thiobenzamide2775-38-441 % similar 1-(3-Fluorophenyl)-2-thiourea458-05-939 % similar 4-(2,4-Dichlorophenyl)-3-thiosemicarbazide13124-11-339 % similar

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

Elsewhere

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