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

C₁₀H₁₄N₂SCAS 91059-97-1194.30 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₄N₂S
Molar mass: 194.30 g/mol
Exact mass: 194.0878 Da
logP: 2.27Crippen estimate
Polar surface area: 38.0 Å²
H-bond donors / acceptors: 2 / 1
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed80% of notifiers
H319 Causes serious eye irritation20% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, P501

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)

Weigh it out

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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

3,5-Dimethylphenylthiourea97480-60-961 % similar 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-Dimethyl-2,3-dihydro-1H-indole-2,3-dione39603-24-245 % similar N-(2,4,6-Trichlorophenyl)thiourea31118-87-344 % similar 4-(2,4-Dimethylphenyl)-3-thiosemicarbazide66298-09-739 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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