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

HCID 13985234CAS 106139-15-5

Substructure search Find similar structures

Basic information

Standard SMILES: Cl.NCCSSc1ccccn1
InChIKey: SEKLFMRSNLFPRB-UHFFFAOYSA-N
Molecular formula: C7H11ClN2S2
Average molar mass: 222.8 g/mol
Monoisotopic mass: 222.0052184

Names & identifiers

Preferred name: 2-((2-Aminoethyl)disulfanyl)pyridine hydrochloride
IUPAC: 2-(pyridin-2-yldisulfanyl)ethanamine;hydrochloride
English name: Pyridine dithioethylamine hydrochloride(PDA-HCl)
Molecular formula: C7H11ClN2S2
Molecular weight: 222.75

Names & synonyms

106139-15-52-[(2-AMINOETHYL)DISULFANYL]PYRIDINE HYDROCHLORIDE2-((2-Aminoethyl)disulfanyl)pyridine hydrochlorideRefChem:447686100-587-42-(2-Pyridyldithio)ethylamine Hydrochloride2-(pyridin-2-yldisulfanyl)ethanamine hydrochloride2-(Pyridyldithio)ethylamine hydrochlorides-(2-pyridylthio)cysteamine hydrochlorideS-2-Pyridylthio Cysteamine Hydrochloride(S)-2-Pyridylthio cysteamine hydrochloridePyridine dithioethylamine hydrochloride

Show more names

Poly(acrylic acid) (MW 450000)2-(Pyridyldithio)ethylamine HCl2-(PYRIDIN-2-YLDISULFANYL)ETHANAMINE HCL[2-(2-Pyridinyldithio)ethyl]ammonium chloride2-Aminoethyl 2-pyridyl disulfide hydrochloride2-(Pyridyldithio)ethylamine hydrochloride, >98%EthanaMine, 2-(2-pyridinyldithio)-, Monohydrochloride

2-(Pyridyldithio)ethylamine (hydrochloride)C7H11ClN2S2MFCD01863453Pyridine dithioethylamine hydrochloride(pda-hcl)2-(pyridin-2-yldisulfanyl)ethanamine;hydrochloride(S)-2-Pyridylthio cysteamine HClPDA-HClEthanamine,2-(2-pyridinyldithio)-, hydrochloride (1:1)

Database identifiers

CAS: 106139-15-5
PubChem CID: 13985234
EC Number: 100-587-4

Properties

Computed structural properties

Topological polar surface area: 89.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 12
Formal charge: 0
Complexity: 100

Physicochemical properties

Melting point: 124 · 124-126C
storage temp.: Inert atmosphere,Room Temperature
solubility: DMSO (Slightly), Methanol (Slightly), Water (Slightly)
form: solid
color: White to off white
InChI: InChI=1S/C7H10N2S2.ClH/c8-4-6-10-11-7-3-1-2-5-9-7;/h1-3,5H,4,6,8H2;1H
InChIKey: SEKLFMRSNLFPRB-UHFFFAOYSA-N
SMILES: S(C1N=CC=CC=1)SCCN.Cl
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P301+P312-P362+P364
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.