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

C7H5Cl3N2SCAS 31118-87-3255.54 g/mol

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ClNHSNH2ClCl
Aryl halide

Properties

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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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)

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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

N-(2,6-Dichlorophenyl)thiourea6590-91-672 % similar 2,4-Dichlorophenylthiourea6326-14-362 % similar 3,5-Dichlorophenylthiourea107707-33-561 % similar 2,4,6-Trichlorophenylhydrazine529-12-452 % similar (2,4,6-Trichlorophenyl)hydrazine5329-12-452 % similar 5,7-Dichloroisatin6374-92-145 % similar N-(2,4,6-Trimethylphenyl)thiourea91059-97-144 % similar 1-(2-Chloro-5-(trifluoromethyl)phenyl)thiourea21714-35-244 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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