N-(2,4-Dimethylphenyl)thiourea

C₉H₁₂N₂SCAS 16738-20-8180.27 g/mol

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Properties

Molecular formula: C₉H₁₂N₂S
Molar mass: 180.27 g/mol
Exact mass: 180.0721 Da
Melting point: 182 °C
logP: 2.58Crippen estimate
Polar surface area: 35.9 Å²
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

16738-20-8

SMILES

Cc1ccc(NC(=N)S)c(C)c1

InChIKey

KAGLPYRXTCQWHU-UHFFFAOYSA-N

InChI

InChI=1S/C9H12N2S/c1-6-3-4-8(7(2)5-6)11-9(10)12/h3-5H,1-2H3,(H3,10,11,12)

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Names and synonyms

8 names

Thiourea, N-(2,4-dimethylphenyl)-
Urea, 2-thio-1-(2,4-xylyl)-
Thiourea, (2,4-dimethylphenyl)-
2,4-Dimethylphenylthiourea
2,4-Xylylthiourea
1-(2,4-Dimethylphenyl)thiourea
1-(2,4-Dimethylphenyl)-2-thiourea
(2,4-Dimethylphenyl)thiourea

Work with N-(2,4-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-Tolylthiourea614-78-862 % similar (4-Methylphenyl)thiourea622-52-656 % similar (3-Methylphenyl)thiourea621-40-954 % similar N-(2,4-Dimethylphenyl)-2,4-dimethylbenzenamine19616-28-553 % similar 2,4-Dimethylphenylurea2990-02-553 % similar 4-(2,4-Dimethylphenyl)-3-thiosemicarbazide66298-09-750 % similar 2,4-Dimethylphenylhydrazine hydrochloride60480-83-346 % similar N-(2,4-Difluorophenyl)thiourea175277-76-645 % similar

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

Same formula

Prothionamide14222-60-7 1-Benzyl-3-methyl-2-thiourea2740-94-5 N-(2,6-Dimethylphenyl)thiourea6396-76-5 2-Phenylethylthiourea6815-00-5 3,5-Dimethylphenylthiourea97480-60-9

Elsewhere

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