chempirical

N-(2,6-Dimethylphenyl)thiourea

C9H12N2SCAS 6396-76-5180.27 g/mol

Open in Covalent MOL file
NHHNHS
Thiol

Properties

Molecular formula
C9H12N2S
Molar mass
180.27 g/mol
Exact mass
180.0721 Da
Melting point
202–204 °C
logP
2.58Crippen 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
6396-76-5
SMILES
Cc1cccc(C)c1NC(=N)S
InChIKey
ASNKJUONFPQYPC-UHFFFAOYSA-N
InChI
InChI=1S/C9H12N2S/c1-6-4-3-5-7(2)8(6)11-9(10)12/h3-5H,1-2H3,(H3,10,11,12)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • Thiourea, N-(2,6-dimethylphenyl)-
  • Urea, 2-thio-1-(2,6-xylyl)-
  • Thiourea, (2,6-dimethylphenyl)-
  • 2,6-Dimethylphenylthiourea
  • 1-(2,6-Dimethylphenyl)thiourea
  • NSC 202179
  • 1-(2,6-Xylyl)thiourea

Work with N-(2,6-Dimethylphenyl)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

O-Tolylthiourea614-78-865 % similar (3-Methylphenyl)thiourea621-40-951 % similar (4-Methylphenyl)thiourea622-52-648 % similar Phenylthiocarbamide103-85-548 % similar (2-Chlorophenyl)thiourea5344-82-146 % similar N-(3-Chlorophenyl)thiourea4947-89-144 % similar Alpha-naphthylthiourea86-88-444 % similar N-(4-Chlorophenyl)thiourea3696-23-944 % similar

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

Same formula

Prothionamide14222-60-7 N-(2,4-Dimethylphenyl)thiourea16738-20-8 1-Benzyl-3-methyl-2-thiourea2740-94-5 2-Phenylethylthiourea6815-00-5 3,5-Dimethylphenylthiourea97480-60-9

Elsewhere

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