2-(3,4-Dichlorophenyl)-1-hydrazinecarbothioamide

C₇H₇Cl₂N₃SCAS 13124-09-9236.11 g/mol

Open in Covalent MOL file

Aryl halide Secondary 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: 2

Identifiers

CAS number

13124-09-9

SMILES

C1=CC(=C(C=C1NNC(=S)N)Cl)Cl

InChIKey

KFDCINBRGZTQLH-UHFFFAOYSA-N

InChI

InChI=1S/C7H7Cl2N3S/c8-5-2-1-4(3-6(5)9)11-12-7(10)13/h1-3,11H,(H3,10,12,13)

Weigh it out

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

Work with 2-(3,4-Dichlorophenyl)-1-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

3,4-Dichlorophenylhydrazine hydrochloride19763-90-744 % similar N-(3,4-Dichlorophenyl)thiourea19250-09-040 % similar 3,5-Dichlorophenylthiourea107707-33-539 % similar 3,4-Dichloroaniline95-76-134 % similar 1,2,4-Trichlorobenzene120-82-132 % similar Triclocarban101-20-232 % similar 3-Amino-3-(3,4-dichloro-phenyl)-propionic acid117391-57-832 % similar 3,4-Dichlorobenzenemethanamine102-49-832 % similar

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

Same formula

4-(2,4-Dichlorophenyl)-3-thiosemicarbazide13124-11-3

Elsewhere

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