2-((2-Aminoethyl)disulfanyl)pyridine hydrochloride

C₇H₁₁ClN₂S₂CAS 106139-15-5222.75 g/mol

Open in Covalent MOL file

Disulfide Primary amine

Properties

Molecular formula: C₇H₁₁ClN₂S₂
Molar mass: 222.75 g/mol
Exact mass: 222.0052 Da
logP: 2.20Crippen estimate
Polar surface area: 38.9 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 4

Identifiers

CAS number

106139-15-5

SMILES

C1=CC=NC(=C1)SSCCN.Cl

InChIKey

SEKLFMRSNLFPRB-UHFFFAOYSA-N

InChI

InChI=1S/C7H10N2S2.ClH/c8-4-6-10-11-7-3-1-2-5-9-7;/h1-3,5H,4,6,8H2;1H

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Names and synonyms

1 names

Pyridine dithioethylamine hydrochloride(pda-hcl)

Work with 2-((2-Aminoethyl)disulfanyl)pyridine hydrochloride

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

2,2'-Dipyridyldisulfide2127-03-952 % similar N-Succinimidyl 3-(2-pyridyldithio)propionate68181-17-947 % similar Cystamine dihydrochloride56-17-742 % similar 2-Pyridylethylamine2706-56-141 % similar 2-(Methylthio)pyridine18438-38-539 % similar 1-(2,5-Dioxopyrrolidin-1-yloxy)-1-oxo-4-(pyridin-2-yldisulfanyl)butane-2-sulfonic acid1193111-39-537 % similar 2-Phenylethylamine hydrochloride156-28-536 % similar Picolyl chloride hydrochloride6959-47-336 % similar

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

Elsewhere

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