2-[(2-Chlorophenyl)methylene]hydrazinecarbothioamide

C₈H₈ClN₃SCAS 5706-78-5213.68 g/mol

Open in Covalent MOL file

Aryl halide Hydrazone Thiol

Properties

Molecular formula: C₈H₈ClN₃S
Molar mass: 213.68 g/mol
Exact mass: 213.0127 Da
Melting point: 205–208 °C
logP: 2.13Crippen estimate
Polar surface area: 48.2 Å²
H-bond donors / acceptors: 3 / 2
Rotatable bonds: 2

Identifiers

CAS number

5706-78-5

SMILES

N=C(S)NN=Cc1ccccc1Cl

InChIKey

ZGPJVXICCFYSRT-UHFFFAOYSA-N

InChI

InChI=1S/C8H8ClN3S/c9-7-4-2-1-3-6(7)5-11-12-8(10)13/h1-5H,(H3,10,12,13)

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Names and synonyms

6 names

Hydrazinecarbothioamide, 2-[(2-chlorophenyl)methylene]-
Benzaldehyde, o-chloro-, thiosemicarbazone
o-Chlorobenzaldehyde thiosemicarbazone
2-Chlorobenzaldehyde thiosemicarbazone
o-Chlorobenzylidenethiosemicarbazone
2-(2-Chlorobenzylidene)hydrazine-1-carbothioamide

Work with 2-[(2-Chlorophenyl)methylene]hydrazinecarbothioamide

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-Chlorophenyl)thiourea5344-82-149 % similar 2-Chlorobenzaldehyde oxime3717-28-045 % similar Triapine143621-35-645 % similar 4′-Formylacetanilide thiosemicarbazone104-06-342 % similar N-(3,4-Dichlorophenyl)thiourea19250-09-040 % similar N-(3-Chlorophenyl)thiourea4947-89-137 % similar 2-Chlorostyrene2039-87-437 % similar 2-Chlorobenzaldehyde89-98-537 % similar

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

Elsewhere

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