chempirical

(3-Methylphenyl)thiourea

C8H10N2SCAS 621-40-9166.24 g/mol

Open in Covalent MOL file
NHNHHS
Thiol

Properties

Molecular formula
C8H10N2S
Molar mass
166.24 g/mol
Exact mass
166.0565 Da
Melting point
110 °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
621-40-9
SMILES
Cc1cccc(NC(=N)S)c1
InChIKey
JODPVHLKQIOIIW-UHFFFAOYSA-N
InChI
InChI=1S/C8H10N2S/c1-6-3-2-4-7(5-6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)

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Names and synonyms

9 names
  • Thiourea, N-(3-methylphenyl)-
  • Urea, 2-thio-1-m-tolyl-
  • Thiourea, (3-methylphenyl)-
  • N-(3-Methylphenyl)thiourea
  • m-Tolylthiourea
  • 1-(m-Methylphenyl)thiourea
  • 1-m-Tolylthiourea
  • 3-Tolylthiourea
  • NSC 635574

Work with (3-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

Phenylthiocarbamide103-85-563 % similar N-(3-Chlorophenyl)thiourea4947-89-162 % similar N-(3-Methylphenyl)urea63-99-060 % similar N-(2,4-Dimethylphenyl)thiourea16738-20-854 % similar N-(3,4-Dichlorophenyl)thiourea19250-09-053 % similar m,m'-Ditolylamine626-13-152 % similar N-(2,6-Dimethylphenyl)thiourea6396-76-551 % similar (3-Nitrophenyl)thiourea709-72-851 % 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 N-(Phenylmethyl)thiourea621-83-0 (4-Methylphenyl)thiourea622-52-6

Elsewhere

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