1,2-Benzenediamine, 4-(propylthio)-, hydrochloride (1:?)

C₉H₁₅ClN₂SCAS 57780-76-4218.74 g/mol

Open in Covalent MOL file

Primary amine Sulfide

Properties

Molecular formula: C₉H₁₅ClN₂S
Molar mass: 218.74 g/mol
Exact mass: 218.0644 Da
logP: 2.77Crippen estimate
Polar surface area: 52.0 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

Identifiers

CAS number

57780-76-4

SMILES

CCCSc1ccc(N)c(N)c1.Cl

InChIKey

WEXOIPBOPIVXDZ-UHFFFAOYSA-N

InChI

InChI=1S/C9H14N2S.ClH/c1-2-5-12-7-3-4-8(10)9(11)6-7;/h3-4,6H,2,5,10-11H2,1H3;1H

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

Names and synonyms

1 names

1,2-Benzenediamine, 4-(propylthio)-, hydrochloride

Work with 1,2-Benzenediamine, 4-(propylthio)-, hydrochloride (1:?)

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

Elsewhere

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