3,5-Dimethylphenylthiourea

C₉H₁₂N₂SCAS 97480-60-9180.27 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₂N₂S
Molar mass: 180.27 g/mol
Exact mass: 180.0721 Da
logP: 1.96Crippen estimate
Polar surface area: 38.0 Å²
H-bond donors / acceptors: 2 / 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

97480-60-9

SMILES

CC1=CC(=CC(=C1)NC(=S)N)C

InChIKey

XOAYHDJRYDSPJZ-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

(3,5-Dimethylphenyl)thiourea

Work with 3,5-Dimethylphenylthiourea

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-(2,4,6-Trimethylphenyl)thiourea91059-97-161 % similar 3,5-Dichlorophenylthiourea107707-33-555 % similar 1-[3,5-Bis(trifluoromethyl)phenyl]-2-thiourea175277-17-552 % similar 1-(3-Fluorophenyl)-2-thiourea458-05-946 % similar (3-Hydroxyphenyl)thiourea3394-05-644 % similar (4-Acetylphenyl)thiourea71680-92-743 % similar (4-(Trifluoromethyl)phenyl)thiourea1736-72-743 % similar 3-(Trifluoromethyl)phenylthiourea1736-70-542 % 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 N-(2,6-Dimethylphenyl)thiourea6396-76-5 2-Phenylethylthiourea6815-00-5

Elsewhere

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