N-(2-((2-(2-Quinoxalinylamino)ethyl)dithio)ethyl)-2-quinoxalinamine

HCID 288587

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Basic information

CAS: 60311-21-9
Standard SMILES: c1ccc2nc(NCCSSCCNc3cnc4ccccc4n3)cnc2c1
InChIKey: KQKKOJRXJSLFLU-UHFFFAOYSA-N
Molecular formula: C20H20N6S2
Average molar mass: 408.5 g/mol
Monoisotopic mass: 408.11908701

Names & identifiers

Preferred name: N-(2-((2-(2-Quinoxalinylamino)ethyl)dithio)ethyl)-2-quinoxalinamine
IUPAC: N-[2-[2-(quinoxalin-2-ylamino)ethyldisulfanyl]ethyl]quinoxalin-2-amine

Names & synonyms

60311-21-9N-(2-((2-(2-Quinoxalinylamino)ethyl)dithio)ethyl)-2-quinoxalinamineNSC149855NSC 149855DTXSID60209072N-[2-[2-(quinoxalin-2-ylamino)ethyldisulfanyl]ethyl]quinoxalin-2-amineNSC-149855N,N'-[Disulfanediyldi(ethane-2,1-diyl)]di(quinoxalin-2-amine)N-(2-Quinoxalinyl)-N-(2-((2-(2-quinoxalinylamino)ethyl)dithio)ethyl)amine

Database identifiers

CAS: 60311-21-9
PubChem CID: 288587
DTXSID: DTXSID60209072

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 126 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 9
Heavy atoms: 28
Formal charge: 0
Complexity: 416

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