(2-Chlorophenyl)thiourea

C7H7ClN2SCAS 5344-82-1186.66 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
146 °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
5344-82-1
SMILES
N=C(S)Nc1ccccc1Cl
InChIKey
YZUKKTCDYSIWKJ-UHFFFAOYSA-N
InChI
InChI=1S/C7H7ClN2S/c8-5-3-1-2-4-6(5)10-7(9)11/h1-4H,(H3,9,10,11)

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Names and synonyms

10 names
  • Thiourea, N-(2-chlorophenyl)-
  • Urea, 1-(o-chlorophenyl)-2-thio-
  • Thiourea, (2-chlorophenyl)-
  • N-(2-Chlorophenyl)thiourea
  • (o-Chlorophenyl)thiourea
  • 1-(2-Chlorophenyl)-2-thiourea
  • 1-(2-Chlorophenyl)thiourea
  • 1-(o-Chlorophenyl)thiourea
  • 2-Chlorophenylthiourea
  • NSC 1165

Reactions

Work with (2-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

Alpha-naphthylthiourea86-88-461 % similar O-Tolylthiourea614-78-858 % similar N-(2-Fluorophenyl)thiourea656-32-658 % similar N-(3,4-Dichlorophenyl)thiourea19250-09-056 % similar (2-Methoxyphenyl)thiourea1516-37-653 % similar N-[2-(Trifluoromethyl)phenyl]thiourea1736-71-653 % similar Phenylthiocarbamide103-85-552 % similar 2-[(2-Chlorophenyl)methylene]hydrazinecarbothioamide5706-78-549 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-(4-Chlorophenyl)thiourea3696-23-9 N-(3-Chlorophenyl)thiourea4947-89-1

Elsewhere

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