4-(2,4-Dimethylphenyl)-3-thiosemicarbazide

C₉H₁₃N₃SCAS 66298-09-7195.28 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₃N₃S
Molar mass: 195.28 g/mol
Exact mass: 195.0830 Da
logP: 1.46Crippen estimate
Polar surface area: 50.1 Å²
H-bond donors / acceptors: 3 / 2
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

66298-09-7

SMILES

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

InChIKey

YTRJQDFRZLKDHZ-UHFFFAOYSA-N

InChI

InChI=1S/C9H13N3S/c1-6-3-4-8(7(2)5-6)11-9(13)12-10/h3-5H,10H2,1-2H3,(H2,11,12,13)

Weigh it out

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Work with 4-(2,4-Dimethylphenyl)-3-thiosemicarbazide

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-Amino-1-(4-methylphenyl)thiourea13278-67-658 % similar 2,4-Dimethylphenylurea2990-02-554 % similar 2,4-Dimethylphenylhydrazine hydrochloride60480-83-351 % similar N-(2,4-Dimethylphenyl)thiourea16738-20-850 % similar N-(2,4-Dimethylphenyl)-2,4-dimethylbenzenamine19616-28-550 % similar 4-(2,4-Dichlorophenyl)-3-thiosemicarbazide13124-11-348 % similar 4-(2-Fluorophenyl)-3-thiosemicarbazide38985-72-744 % similar 2,4-Dimethyldiphenylamine25078-04-043 % similar

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

Same formula

N-[4-(Dimethylamino)phenyl]thiourea22283-43-8 N-(2,6-Dimethylphenyl)hydrazinecarbothioamide71058-35-0

Elsewhere

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