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2,2'-Dithiobis (pyridine-N-oxide)

CAT: 0926-FD41673-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0926-FD41673-01Size:5 g
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CAS Number
3696-28-4
Synonyms
Dipyrithione; Bispyrithione
MDL Number
MFCD00006197
Smiles
C1=CC=[N+] (C (=C1) SSC2=CC=CC=[N+]2[O-]) [O-]
Molecular Formula
C10H8N2O2S2
Molecular Weight
252.31 g/mol
Controlled
No

Chemical Information

Dipyrithione

Dipyrithione is a pyridinium ion.

CAS Number3696-28-4
PubChem CID3109
IUPAC Name1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium
Molecular FormulaC10H8N2O2S2
Molecular Weight252.3
XLogP0.6
Topological Polar Surface Area102
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity199
SMILES
C1=CC=[N+](C(=C1)SSC2=CC=CC=[N+]2[O-])[O-]
InChI
InChI=1S/C10H8N2O2S2/c13-11-7-3-1-5-9(11)15-16-10-6-2-4-8-12(10)14/h1-8H
InChIKey
ZHDBTKPXEJDTTQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dipyrithione
CAS: 3696-28-4
CID: 3109
Formula: C10H8N2O2S2
MW: 252.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight252.3
XLogP30.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass252.00271985
Monoisotopic Mass252.00271985
Topological Polar Surface Area102 Ų
Heavy Atom Count16
Formal Charge0
Complexity199
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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