Pyridine, 2,2'-dithiobis(ethyleneiminopentamethyleneoxy)bis(3,5-dichloro-, dihydrochloride

HCID 218822

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Basic information

CAS: 41287-65-4
Standard SMILES: Cl.Cl.Clc1cnc(OCCCCCNCCSSCCNCCCCCOc2ncc(Cl)cc2Cl)c(Cl)c1
InChIKey: BQJJCIYAPLCGJD-UHFFFAOYSA-N
Molecular formula: C24H36Cl6N4O2S2
Average molar mass: 689.4 g/mol
Monoisotopic mass: 686.041085

Names & identifiers

Preferred name: Pyridine, 2,2'-dithiobis(ethyleneiminopentamethyleneoxy)bis(3,5-dichloro-, dihydrochloride
IUPAC: 5-[(3,5-dichloro-2-pyridinyl)oxy]-N-[2-[2-[5-[(3,5-dichloro-2-pyridinyl)oxy]pentylamino]ethyldisulfanyl]ethyl]pentan-1-amine;dihydrochloride

Names & synonyms

Pyridine, 2,2'-dithiobis(ethyleneiminopentamethyleneoxy)bis(3,5-dichloro-, dihydrochloride2,2'-Dithiobis(ethyleneiminopentamethyleneoxy)bis(3,5-dichloropyridine) dihydrochloride41287-65-4DTXSID70194228Disulfide, bis((2-(5-(3,5-dichloro-2-pyridyloxy)pentyl)amino)ethyl) dihydrochlorideRefChem:376486DTXCID80116719N,N'-[Disulfanediyldi(ethane-2,1-diyl)]bis{5-[(3,5-dichloropyridin-2-yl)oxy]pentan-1-amine}--hydrogen chloride (1/2)

Database identifiers

CAS: 41287-65-4
PubChem CID: 218822
DTXSID: DTXSID70194228

Properties

Computed structural properties

Topological polar surface area: 119 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 8
Rotatable bonds: 21
Heavy atoms: 38
Formal charge: 0
Complexity: 493

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