(4-Acetylphenyl)thiourea

C₉H₁₀N₂OSCAS 71680-92-7194.25 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₀N₂OS
Molar mass: 194.25 g/mol
Exact mass: 194.0514 Da
logP: 1.54Crippen estimate
Polar surface area: 55.1 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

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

71680-92-7

SMILES

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

InChIKey

VVIUKYOXYSWCOF-UHFFFAOYSA-N

InChI

InChI=1S/C9H10N2OS/c1-6(12)7-2-4-8(5-3-7)11-9(10)13/h2-5H,1H3,(H3,10,11,13)

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Names and synonyms

1 names

1-(4-Acetylphenyl)-2-thiourea

Work with (4-Acetylphenyl)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

1,4-Diacetylbenzene1009-61-652 % similar (4-(Trifluoromethyl)phenyl)thiourea1736-72-749 % similar P-Aminoacetophenone99-92-347 % similar 4,4'-Diacetylbiphenyl787-69-947 % similar 1-(3-Carboxyphenyl)-2-thiourea37182-75-544 % similar P-Methylacetophenone122-00-944 % similar 1-(4-(Trifluoromethoxy)phenyl)-2-thiourea142229-74-144 % similar Methyl 4-acetylbenzoate3609-53-843 % similar

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

Same formula

5-Ethoxy-2-mercaptobenzimidazole55489-15-1 2-Amino-6-ethoxybenzothiazole94-45-1

Elsewhere

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