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1121-31-9

1121-31-9 structural image
Product Name: 2-Pyridinethiol 1-oxide
Formula: C5H5NOS
Synonyms: C5;Pyrithione;2-Pyridinethiol-1-oxide;C3 and PZP-like alpha-2-macroglobulin domain-containing protein 4;C5a anaphylatoxin
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CHEMICAL AND PHYSICAL PROPERTIES

Boiling Point 100 (Zinc salt)
Solubility Soluble in cold water (Zinc salt)
Chemical Classes Other Uses -> Biocides/Disinfectants

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H301:Acute toxicity,oral
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 127.17 g/mol
XLogP3 0.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 127.00918496 g/mol
Monoisotopic Mass 127.00918496 g/mol
Topological Polar Surface Area 55.6 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 162
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
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Pyrithione is a pyridinethione that is pyridine-2(1H)-thione in which the hydrogen attached to the nitrogen is replaced by a hydroxy group. It is a Zn(2+) ionophore; the zinc salt is used as an antifungal and antibacterial agent. It has a role as an ionophore. It is a pyridinethione and a monohydroxypyridine. It is a tautomer of a pyridine-2-thiol N-oxide.