chempirical

O-Tolylthiourea

C8H10N2SCAS 614-78-8166.24 g/mol

Open in Covalent MOL file
NHHNHS
Thiol

Properties

Molecular formula
C8H10N2S
Molar mass
166.24 g/mol
Exact mass
166.0565 Da
Melting point
162 °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
614-78-8
SMILES
Cc1ccccc1NC(=N)S
InChIKey
ACLZYRNSDLQOIA-UHFFFAOYSA-N
InChI
InChI=1S/C8H10N2S/c1-6-4-2-3-5-7(6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)

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Names and synonyms

10 names
  • Thiourea, N-(2-methylphenyl)-
  • Urea, 2-thio-1-o-tolyl-
  • Thiourea, (2-methylphenyl)-
  • N-(2-Methylphenyl)thiourea
  • (2-Methylphenyl)thiourea
  • N-(o-Tolyl)thiourea
  • 1-(2-Methylphenyl)thiourea
  • 2-Tolylthiourea
  • NSC 5786
  • 1-(o-Tolyl)thiourea

Work with O-Tolylthiourea

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-Dimethylphenyl)thiourea6396-76-565 % similar Di-o-tolylguanidine97-39-263 % similar N-(2,4-Dimethylphenyl)thiourea16738-20-862 % similar (2-Chlorophenyl)thiourea5344-82-158 % similar N-(2-Methylphenyl)urea614-77-758 % similar N-(2-Fluorophenyl)thiourea656-32-658 % similar (2-Methoxyphenyl)thiourea1516-37-657 % similar Alpha-naphthylthiourea86-88-456 % 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 (3-Methylphenyl)thiourea621-40-9 N-(Phenylmethyl)thiourea621-83-0 (4-Methylphenyl)thiourea622-52-6

Elsewhere

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