N-(3-Chlorophenyl)thiourea

C7H7ClN2SCAS 4947-89-1186.66 g/mol

Open in Covalent MOL file
NHHSHNCl
Aryl halideThiol

Properties

Molecular formula
C7H7ClN2S
Molar mass
186.66 g/mol
Exact mass
186.0018 Da
Melting point
138.5–139 °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
4947-89-1
SMILES
N=C(S)Nc1cccc(Cl)c1
InChIKey
LSYZRUOXXOTVAV-UHFFFAOYSA-N
InChI
InChI=1S/C7H7ClN2S/c8-5-2-1-3-6(4-5)10-7(9)11/h1-4H,(H3,9,10,11)

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Names and synonyms

9 names
  • Thiourea, N-(3-chlorophenyl)-
  • Urea, 1-(m-chlorophenyl)-2-thio-
  • Thiourea, (3-chlorophenyl)-
  • (m-Chlorophenyl)thiourea
  • 1-(m-Chlorophenyl)thiourea
  • 3-Chlorophenylthiourea
  • 1-(3-Chlorophenyl)thiourea
  • m-Chlorophenylthiourea
  • NSC 164965

Work with N-(3-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

(3-Methylphenyl)thiourea621-40-962 % similar Phenylthiocarbamide103-85-560 % similar N-(3,4-Dichlorophenyl)thiourea19250-09-059 % similar (3-Nitrophenyl)thiourea709-72-853 % similar N-3-Pyridinylthiourea30162-37-950 % similar N-(5-Chloro-2-methoxyphenyl)thiourea63980-69-849 % similar N-m-Chlorophenylbiguanide hydrochloride2113-05-548 % similar 2-Chloro-N-(3-chlorophenyl)acetamide2564-05-847 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-(4-Chlorophenyl)thiourea3696-23-9 (2-Chlorophenyl)thiourea5344-82-1

Elsewhere

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