chempirical

N-(2,4,6-Trimethylphenyl)thiourea

C10H14N2SCAS 91059-97-1194.30 g/mol

Open in Covalent MOL file
NHSNH2

Properties

Molecular formula
C10H14N2S
Molar mass
194.30 g/mol
Exact mass
194.0878 Da
logP
2.27Crippen estimate
Polar surface area
38.0 Ų
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
91059-97-1
SMILES
CC1=CC(=C(C(=C1)C)NC(=S)N)C
InChIKey
LBUGQLLKHAHCJJ-UHFFFAOYSA-N
InChI
InChI=1S/C10H14N2S/c1-6-4-7(2)9(8(3)5-6)12-10(11)13/h4-5H,1-3H3,(H3,11,12,13)

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Work with N-(2,4,6-Trimethylphenyl)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

N-(2,6-Dichlorophenyl)thiourea6590-91-647 % similar 5-Fluoro-2-methylphenylthiourea16822-86-946 % similar 2,4,6-Trimethylphenylhydrazine hydrochloride76195-82-945 % similar N1,N2-Dimesitylethane-1,2-diamine134030-21-045 % similar 5,7-Dimethylisatin39603-24-245 % similar N-(2,4,6-Trichlorophenyl)thiourea31118-87-344 % similar 4-(2,4-Dimethylphenyl)-3-thiosemicarbazide66298-09-739 % similar 3,5-Dichlorophenylthiourea107707-33-539 % similar

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

Elsewhere

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