Pyridine, 2,2'-dithiobis(ethyleneiminotrimethyleneoxy)bis(5-chloro-, dihydrochloride

HCID 218818

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 41287-63-2
Standard SMILES: Cl.Cl.Clc1ccc(OCCCNCCSSCCNCCCOc2ccc(Cl)cn2)nc1
InChIKey: ZDLVTABGUOVWRV-UHFFFAOYSA-N
Molecular formula: C20H30Cl4N4O2S2
Average molar mass: 564.4 g/mol
Monoisotopic mass: 562.056429

Names & identifiers

Preferred name: Pyridine, 2,2'-dithiobis(ethyleneiminotrimethyleneoxy)bis(5-chloro-, dihydrochloride
IUPAC: 3-[(5-chloro-2-pyridinyl)oxy]-N-[2-[2-[3-[(5-chloro-2-pyridinyl)oxy]propylamino]ethyldisulfanyl]ethyl]propan-1-amine;dihydrochloride

Names & synonyms

2,2'-(Dithiobis(ethyleneiminotrimethyleneoxy))bis(5-chloropyridine) dihydrochloride41287-63-2Disulfide, bis((2-(3-(5-chloro-2-pyridyloxy)propyl)amino)ethyl)-, dihydrochloridePyridine, 2,2'-dithiobis(ethyleneiminotrimethyleneoxy)bis(5-chloro-, dihydrochlorideRefChem:376491DTXSID40961580N,N'-[Disulfanediyldi(ethane-2,1-diyl)]bis{3-[(5-chloropyridin-2-yl)oxy]propan-1-amine}--hydrogen chloride (1/2)

Database identifiers

CAS: 41287-63-2
PubChem CID: 218818
DTXSID: DTXSID40961580

Properties

Computed structural properties

Topological polar surface area: 119 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 8
Rotatable bonds: 17
Heavy atoms: 32
Formal charge: 0
Complexity: 383

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…