ChemicalBook--->CAS DataBase List--->1121-30-8

1121-30-8

1121-30-8 Structure

1121-30-8 Structure
IdentificationBack Directory
[Name]

Pyrithione
[CAS]

1121-30-8
[Synonyms]

PTO
SQ-2113
PYRITHIONE
N-HYDROXYPYRIDINE-2-THIONE
2-PYRIDINETHIONE,1-HYDROXY-
N-HYDROXYPYRIDINE-(1H)-THIONE
1-Hydroxypyridine-2(1H)-Thione
1-hydroxyl-1H-pyridine-2-thione
2(1H)-Pyridinethione, 1-hydroxy-
[EINECS(EC#)]

214-328-9
[Molecular Formula]

C5H5NOS
[MDL Number]

MFCD00059791
[MOL File]

1121-30-8.mol
[Molecular Weight]

127.164
Chemical PropertiesBack Directory
[Melting point ]

68°C
[Boiling point ]

253.8±23.0 °C(Predicted)
[density ]

1.255 (estimate)
[refractive index ]

1.5480 (estimate)
[storage temp. ]

2-8°C
[solubility ]

DMSO: 125 mg/mL (983.01 mM)
[form ]

solid
[pka]

4.70±0.20(Predicted)
[color ]

Light yellow to yellow
[InChI]

InChI=1S/C5H5NOS/c7-6-4-2-1-3-5(6)8/h1-4,7H
[InChIKey]

YBBJKCMMCRQZMA-UHFFFAOYSA-N
[SMILES]

C1(=S)N(O)C=CC=C1
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Description]

The sodium salt of N-hydroxy-2-pyridinethiones has a germicidal activity againts yeasts and fungi. Sodium omadine is a 40% aqueous solution of sodium pyrithione.
[Uses]

It is used in the metallurgical industry as a component of water-based metalwork fluids, of aceto-polyvinyl lattices, water-based printer's ink, lubrieant for synthetie fibers and anti-dandruff shampoos. A case was reported in a metallurgie worker.
[Definition]

ChEBI: 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 Zn2+ ionophore; the zinc salt is used as an antifungal and antibacterial agent.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 72, p. 4362, 1950 DOI: 10.1021/ja01166a008
Spectrum DetailBack Directory
[Spectrum Detail]

Pyrithione(1121-30-8)1HNMR
Pyrithione(1121-30-8)13CNMR
Pyrithione(1121-30-8)IR1
Pyrithione(1121-30-8)IR2
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