4-(4-Chlorophenyl)-3-thiosemicarbazide

C₇H₈ClN₃SCAS 22814-92-2201.67 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₇H₈ClN₃S
Molar mass: 201.67 g/mol
Exact mass: 201.0127 Da
logP: 1.50Crippen 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

22814-92-2

SMILES

C1=CC(=CC=C1NC(=S)NN)Cl

InChIKey

GFTWJLUVFRTLIL-UHFFFAOYSA-N

InChI

InChI=1S/C7H8ClN3S/c8-5-1-3-6(4-2-5)10-7(12)11-9/h1-4H,9H2,(H2,10,11,12)

Weigh it out

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Work with 4-(4-Chlorophenyl)-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)thiourea13278-67-663 % similar 4-(4-Bromophenyl)thiosemicarbazide2646-31-363 % similar 4-(2,4-Dichlorophenyl)-3-thiosemicarbazide13124-11-358 % similar 4-[4-(Trifluoromethyl)phenyl]-3-thiosemicarbazide206761-90-257 % similar (4-Chlorophenyl)hydrazine1073-69-448 % similar p-Chlorophenylhydrazine monohydrochloride1073-70-744 % similar 4-Chlorophenylurea140-38-543 % similar N-(4-Chlorophenyl)thiourea3696-23-943 % similar

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

Elsewhere

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