N-(4-Chlorophenyl)thiourea

C7H7ClN2SCAS 3696-23-9186.66 g/mol

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NHHSHNCl
Aryl halideThiol

Properties

Molecular formula
C7H7ClN2S
Molar mass
186.66 g/mol
Exact mass
186.0018 Da
Melting point
183 °C
logP
2.62Crippen estimate
Polar surface area
35.9 Ų
H-bond donors / acceptors
3 / 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
3696-23-9
SMILES
N=C(S)Nc1ccc(Cl)cc1
InChIKey
XVEFWRUIYOXUGG-UHFFFAOYSA-N
InChI
InChI=1S/C7H7ClN2S/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)

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Names and synonyms

12 names
  • Thiourea, N-(4-chlorophenyl)-
  • Urea, 1-(p-chlorophenyl)-2-thio-
  • Thiourea, (4-chlorophenyl)-
  • p-Chlorophenylthiourea
  • N-(p-Chlorophenyl)thiourea
  • 1-(p-Chlorophenyl)thiourea
  • 1-(p-Chlorophenyl)-2-thiourea
  • 4-Chlorophenylthiourea
  • 1-(4-Chlorophenyl)thiourea
  • NSC 72217
  • N′-(4-Chlorophenyl)carbamimidothioic acid
  • 4-Chlorophenyl-2-thiourea

Work with N-(4-Chlorophenyl)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

Phenylthiocarbamide103-85-561 % similar N-(4-Hydroxyphenyl)thiourea1520-27-060 % similar N-(4-Bromophenyl)thiourea2646-30-260 % similar N-(4-Fluorophenyl)thiourea459-05-260 % similar (4-Methylphenyl)thiourea622-52-660 % similar N-(3,4-Dichlorophenyl)thiourea19250-09-059 % similar N-[4-(Dimethylamino)phenyl]thiourea22283-43-859 % similar 4-Chlorophenylurea140-38-555 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-(3-Chlorophenyl)thiourea4947-89-1 (2-Chlorophenyl)thiourea5344-82-1

Elsewhere

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