Bis-DNP-cystamine

HCID 368190
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Basic information

Standard SMILES
O=[N+]([O-])c1ccc(NCCSSCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1
InChIKey
IKEMKAQWDJZNAG-UHFFFAOYSA-N
Molecular formula
C16H16N6O8S2
Average molar mass
484.5 g/mol

Names & identifiers

Preferred name
Bis-DNP-cystamine
IUPAC
N-[2-[2-(2,4-dinitroanilino)ethyldisulfanyl]ethyl]-2,4-dinitroaniline

Names & synonyms

Bis-DNP-cystamineNSC638611SCHEMBL9051771IKEMKAQWDJZNAG-UHFFFAOYSA-NNSC-638611N,N'-bis (2,4-dinitrophenyl)cystamineBenzenamine, N,N'-(dithiodi-2,1-ethanediyl)bis[2,4-dinitro-N-[2-[2-(2,4-dinitroanilino)ethyldisulfanyl]ethyl]-2,4-dinitro-aniline

Database identifiers

PubChem CID
368190

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
258 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
12
Rotatable bonds
9
Heavy atoms
32

Related reactions

1 records
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Compound notes

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