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

C₇H₇Cl₂N₃SCAS 13124-11-3236.11 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₇H₇Cl₂N₃S
Molar mass: 236.11 g/mol
Exact mass: 234.9738 Da
logP: 2.15Crippen estimate
Polar surface area: 50.1 Å²
H-bond donors / acceptors: 3 / 2
Rotatable bonds: 1

Identifiers

CAS number

13124-11-3

SMILES

C1=CC(=C(C=C1Cl)Cl)NC(=S)NN

InChIKey

PEWKSNLNCRYBNV-UHFFFAOYSA-N

InChI

InChI=1S/C7H7Cl2N3S/c8-4-1-2-6(5(9)3-4)11-7(13)12-10/h1-3H,10H2,(H2,11,12,13)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

3-Amino-1-(2,4-dichlorophenyl)thiourea

Work with 4-(2,4-Dichlorophenyl)-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

2,4-Dichlorophenylhydrazine13123-92-756 % similar 2,4-Dichlorophenylhydrazine hydrochloride5446-18-451 % similar (2,5-Dichlorophenyl)hydrazine305-15-743 % similar 2,5-Dichlorophenylhydrazine hydrochloride50709-35-840 % similar 3-Amino-1-(4-methylphenyl)thiourea13278-67-639 % similar 1,2,4-Trichlorobenzene120-82-138 % similar 2,4-Dichlorobenzenethiol1122-41-438 % similar 2,4-Dichloroaniline554-00-738 % similar

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

Same formula

2-(3,4-Dichlorophenyl)-1-hydrazinecarbothioamide13124-09-9

Elsewhere

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