chempirical

(4-Methylphenyl)thiourea

C8H10N2SCAS 622-52-6166.24 g/mol

Open in Covalent MOL file
NHHNSH
Thiol

Properties

Molecular formula
C8H10N2S
Molar mass
166.24 g/mol
Exact mass
166.0565 Da
Melting point
182 °C
logP
2.27Crippen 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. Search the SDS library

Identifiers

CAS number
622-52-6
SMILES
Cc1ccc(NC(=N)S)cc1
InChIKey
VXLFMCZPFIKKDZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H10N2S/c1-6-2-4-7(5-3-6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)

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Names and synonyms

14 names · show all
  • Thiourea, N-(4-methylphenyl)-
  • Urea, 2-thio-1-p-tolyl-
  • Thiourea, (4-methylphenyl)-
  • N-(4-Methylphenyl)thiourea
  • p-Tolylthiourea
  • p-Tolylthiocarbamide
  • N-p-Tolylthiourea
  • 1-p-Tolylthiourea
  • 1-(4-Methylphenyl)thiourea
  • 4-Tolylthiourea
  • (p-Methylphenyl)thiourea
  • NSC 28041
  • N-(p-Methylphenyl)thiourea
  • 1-(p-Methylphenyl)thiourea

Work with (4-Methylphenyl)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-Chlorophenyl)thiourea3696-23-960 % similar N-(4-Fluorophenyl)thiourea459-05-260 % similar N-[4-(Dimethylamino)phenyl]thiourea22283-43-859 % similar (4-Methoxyphenyl)thiourea2293-07-459 % similar N-(2,4-Dimethylphenyl)thiourea16738-20-856 % similar

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

Same formula

N-Methyl-N′-phenylthiourea2724-69-8 N-Methyl-N-phenylthiourea4104-75-0 Ethionamide536-33-4 O-Tolylthiourea614-78-8 (3-Methylphenyl)thiourea621-40-9 N-(Phenylmethyl)thiourea621-83-0

Elsewhere

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