AC1L7NOX structure

AC1L7NOX

N-[5-[12-[[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]dodecylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide

Also Known As: N,N'-[Dodecane-1,12-diylbis(sulfanediyl-1,3,4-thiadiazole-5,2-diyl)]dipropanamide|N-[5-[12-[[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl|N-[5-[12-[[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]dodecylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide

CAS: 87202-68-4
Molecular Formula C22H36N6O2S4
Molecular Weight 544.1783 g/mol
LogP 6.8
Topological Polar Surface Area 217.0 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 10
Rotatable Bonds 19
Exact Mass 544.1783
Monoisotopic Mass 544.1783
Heavy Atoms 34
Complexity 530.0

Chemical Identifiers

CAS Number 87202-68-4
SMILES CCC(=O)NC1=NN=C(S1)SCCCCCCCCCCCCSC2=NN=C(S2)NC(=O)CC
InChIKey HVTQNWMELABCMH-UHFFFAOYSA-N

Product Overview

AC1L7NOX (CAS 87202-68-4), with molecular formula C22H36N6O2S4 and molecular weight 544.1783 g/mol. IUPAC: N-[5-[12-[[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]dodecylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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