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Substance Name: Pyrithione
RN: 1121-30-8
InChIKey: YBBJKCMMCRQZMA-UHFFFAOYSA-N

Note

  • Split from cephalosporin molecule; some metal complexes of this have fumarate reductase inhibitory activity and may be useful against trypanosomes.

Molecular Formula

  • C5-H5-N-O-S

Molecular Weight

  • 127.166
 

Classification Codes

  • Agricultural Chemical
  • Anti-Infective Agents
  • Antifungal Agents
  • Fungicide, Bactericide, Wood Preservative
  • Germicide, Bactericide, Disinfectant
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Names and Synonyms

Name of Substance

  • Pyrithione

Synonyms

  • 1-Hydroxy-2-(1H)-pyridinethione
  • 1-Hydroxy-2-pyridinethione
  • 5-21-07-00150 (Beilstein Handbook Reference)
  • AI3-60234
  • BRN 0109936
  • EINECS 214-328-9
  • NSC 179790
  • Omadine
  • Pyrithione
  • SQ 2113

Systematic Names

  • 1-Hydroxy-2(1H)-pyridinethione
  • 1-Hydroxyl-1H-pyridine-2-thione
  • 2-(1H)-Pyridinethione, 1-hydroxy-

Registry Numbers

CAS Registry Number

  • 1121-30-8

Related Registry Number

  • 15922-78-8 (hydrochloride salt)

System Generated Number

  • 0001121308

Structure Descriptors

InChI

1S/C5H5NOS/c7-6-4-2-1-3-5(6)8/h1-4,7H

InChIKey

YBBJKCMMCRQZMA-UHFFFAOYSA-N

Smiles

c1n(c(ccc1)=S)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 100mg/kg (100mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.
cat LD50 oral 108mg/kg (108mg/kg)   Toxicology Annual. Vol. 3, Pg. 1, 1979.
mouse LD50 intraperitoneal 165mg/kg (165mg/kg)   Toxicology and Applied Pharmacology. Vol. 2, Pg. 156, 1960.
mouse LD50 intravenous 340mg/kg (340mg/kg)   Toxicology and Applied Pharmacology. Vol. 2, Pg. 156, 1960.
mouse LD50 oral 535mg/kg (535mg/kg)   Toxicology and Applied Pharmacology. Vol. 2, Pg. 156, 1960.
mouse LD50 subcutaneous 450mg/kg (450mg/kg)   Toxicology and Applied Pharmacology. Vol. 2, Pg. 156, 1960.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.300 (none)   EST
Atmospheric OH Rate Constant 1.51E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.