Basic information
- CAS
3811-73-2- Standard SMILES
[Na+].[O-]n1ccccc1=S- InChIKey
XNRNJIIJLOFJEK-UHFFFAOYSA-N- Molecular formula
- C5H4NNaOS
- Average molar mass
- 149.15 g/mol
- Monoisotopic mass
- 148.99112921
Overview
See also: Pyrithione Sodium (preferred); Pyrithione (has active moiety).
Names & identifiers
- Preferred name
- Sodium (2-pyridylthio)-N-oxide
- IUPAC
- sodium 1-oxidopyridine-2-thione
- English name
- Sodium Pyrithione
- Molecular formula
- C5H6NNaOS
- Molecular weight
- 150.16
Names & synonyms
3811-73-2Omadine sodiumSodium (2-pyridylthio)-N-oxide2-Mercaptopyridine n-oxide sodium2-Mercaptopyridinen-oxide sodiumsaltsodium (1-oxidopyridin-1-ium-2-yl)sulfanideDTXSID30423902-Mercaptopyridine-N-oxide sodium salt2-Mercaptopyridine 1-oxide sodium salt2-Mercaptopyridine N-oxide (sodium)MFCD01941547Prestwick_78
Show more names
SODIUM OMADINE2-MERCAPTOPYRIDINE-1-OXIDE SODIUM SALTNaPTPYRITHIONE SODIUM2-MERCAPTOPYRIDINE N-OXIDE SODIUM SALTSODIUM-2-PYRIDINETHIOL-1-OXIDEpyridine-2-thiol 1-oxide, sodium saltSodiSodium pyrithion1-HYDROXYPYRIDINE-2-THIONE SODIUM SALT
2-Pyridinethiol, 1-oxide, sodium salt (1:1)2-Mercaptopyridine N-oxide sodium salt anhydrous2-Pyridinethiol 1-Oxide Sodium SaltSodium omadine (VAN)Sodium pyrithione (VAN)NSC 4483EINECS 223-296-5Sodium, (2-pyridylthio)-, N-oxide
Properties
Computed structural properties
- Topological polar surface area
- 58.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 162
Experimental & physicochemical properties
Food Contact Substances
FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications
FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications
Physical DescriptionCBI
Physicochemical properties
- Melting point
- 287 °C · 287 °C(dec.)
- Boiling point
- 109 °C · 109 °C
- Density
- 1.22 · 1.22
- vapor pressure
- 0 · 0-0Pa at 25℃
- refractive index
- 1.4825 · 1.4825
- Flash point
- Not applicable
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- 2 O: · H2O: 0.1 M at 20 °C, clear, faintly yellow
- form
- powder to crystal
- color
- White to Light yellow
- biological source
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 0.5% (5 of 962) of reports.
Danger
H302+H312+H332 (45.9%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 962 reports by companies from 33 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
Hazard information
Regulatory Information
Chemical: 2-Pyridinethiol, 1-oxide, sodium salt
2-Pyridinethiol, 1-oxide, sodium salt (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Pyridinethiol, 1-oxide, sodium salt (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: Pyridine-2-thiol 1-oxide, sodium salt (EC: 223-296-5)
Other Safety InformationIMAP assessments - 2-Pyridinethiol, 1-oxide, sodium salt: Human health tier II assessment
Hazard Classes and Categories
Acute Tox. 4 (99.4%)
Acute toxicity (ingestion) - category 4
Acute toxicity (Oral) - Category 4
Safety data
- F
- 3-13
Chemistry & industry
Uses & manufacturing
U.S. Production2023: <50,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesSoil amendments (fertilizers)
General Manufacturing Information
Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing
2-Pyridinethiol, 1-oxide, sodium salt (1:1): ACTIVE
Applications
DescriptionSodium pyrithione is mainly used for anti-mildew and antibacterial products in the fields of daily chemicals (shampoo and hair care products), architectural coatings, adhesives, sealants, pesticides, textiles, leather products, metal working fluids, etc. It can also be formulated for disinfection agents, detergents and medical broad-spectrum antifungal dermatological products. At the same time, it is also an effective fungicide and an excellent common disinfectant for fruit trees, peanuts, wheat, vegetables and other crops. Its derivative product, zinc pyrithione, is also a commonly used fungicide for daily chemicals.
Usessodium pyrithione is a preservative that is not commonly used because of some level of toxicity. It is prohibited in Canada, and it is on the eu Annex II list of substances that must not form part of a cosmetic product composition.
UsesSodium omadine is a bactericide for use in cooling fluids and short-term in-can preservation of vinyl acetate latex, paints, and synthetic-fiber lubricants; preservative for cosmetic rinse-off products.
General Description2-Mercaptopyridine N-oxide acts as labelling agent during indium-111 labelling of human platelets. It acts as bioactive ligand and forms palladium and platinum complexes, which were tested as potential antitrypanosomal agents.
Upstream & downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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