Dipyrithione
CAS No.:3696-28-4
Synonyms:
dipyrithione
Bispyrithione
Omadine disulfide
Omadine DS
OMDS
Dipyrithione (USAN)
Dipyrithione [USAN:INN]
Dipiritiona [INN-Spanish]
Dipyrithionum [INN-Latin]
Pyridine disulfide analog
Structure:
Properties Computed from Structure:
Molecular Weight 252.31272 [g/mol]
Molecular Formula C10H8N2O2S2
XLogP 1.3
H-Bond Donor 0
H-Bond Acceptor 2
Rotatable Bond Count 3
Exact Mass 252.002719
MonoIsotopic Mass 252.002719
Topological Polar Surface Area 53.9
Heavy Atom Count 16
Formal Charge 0
Complexity 199
Isotope Atom Count 0
Defined Atom StereoCenter Count 0
Undefined Atom StereoCenter Count 0
Defined Bond StereoCenter Count 0
Undefined Bond StereoCenter Count 0
Covalently-Bonded Unit Count 1
Descriptors Computed from Structure:
IUPAC Name: 1-oxido-2-(1-oxidopyridin-1-ium-2-yl)disulfanylpyridin-1-ium
Canonical SMILES: C1=CC=[N+](C(=C1)SSC2=CC=CC=[N+]2[O-])[O-]
InChI: InChI=1/C10H8N2O2S2/c13-11-7-3-1-5-9(11)15-16-10-6-2-4-8-12(10)14/h1-8H
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