dipyrithione

1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium

CAS: 3696-28-4

Molecular Formula	`C10H8N2O2S2`
Molecular Weight	252.3 g/mol
LogP	0.6
Topological Polar Surface Area	102.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	3
Exact Mass	252.00272
Heavy Atoms	16
Complexity	199.0

Chemical Identifiers

CAS Number	3696-28-4
SMILES	`C1=CC=[N+](C(=C1)SSC2=CC=CC=[N+]2[O-])[O-]`
InChIKey	`ZHDBTKPXEJDTTQ-UHFFFAOYSA-N`

📖 Product Overview

dipyrithione (CAS: 3696-28-4) is a chemical compound with molecular formula C10H8N2O2S2 and molecular weight 252.3 g/mol. Its IUPAC systematic name is 1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium. LogP 0.6 Topological Polar Surface Area 102.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 4 Rotatable Bonds 3 Exact Mass 252.00272 Heavy Atoms 16 Complexity 199.0 InChI Key: ZHDBTKPXEJDTTQ-UHFFFAOYSA-N. SMILES: C1=CC=[N+](C(=C1)SSC2=CC=CC=[N+]2[O-])[O-].

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