2-巯基吡啶-N-氧化物

Description

2-Mercaptopyridine-N-oxide · CAS 1121-31-9 · C5H5NOS. UNII 6GK82EC25D. Boiling Point: 100; LogP: 0.4.

Identification

CAS Registry Number	1121-31-9
PubChem CID	1570
Molecular formula	C5H5NOS
IUPAC name	1-hydroxypyridine-2-thione
UNII (FDA)	6GK82EC25D

Computed Descriptors

Molecular Weight	127.17
XLogP3	0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	127.00918496
Monoisotopic Mass	127.00918496
Topological Polar Surface Area	55.6
Heavy Atom Count	8
Formal Charge	0

Physical & Chemical Properties

Boiling Point	100
LogP	0.4

Physical description & handling notes

• Soluble in cold water (Zinc salt)

Regulatory Status

Regulatory & Food Contact	FDA Cumulative Estimated Daily Intake (CEDI): FCS

GHS Hazard Classification

Reported hazard statements	H301 (95.7%), H315 (100%), H319 (100%), H335 (97.8%)

Documented Uses

• The sodium salt of pyrithione is used as a biocide in metalworking fluids; also used in ink, synthetic fiber lubricants, and dandruff shampoo; [Kanerva, p. 1832] Used as a biocide in the aircraft industry; [Kanerva, p. 1259] Used as an anti-fungal agent and disinfectant; [ChemIDplus]
• Metal Machining [Category: Heat or Machine]
• Using Disinfectants or Biocides [Category: Clean]
• 2-Pyridinethiol, 1-oxide: ACTIVE
• Indicated for the treatment of dandruff and seborrheic dermatitis.
• Substances that destroy fungi by suppressing their ability to grow or reproduce. They differ from FUNGICIDES, INDUSTRIAL because they defend against fungi present in human or animal tissues.

Synonyms

pyrithione; 1121-30-8; 2-MERCAPTOPYRIDINE-N-OXIDE; 1-Hydroxy-2-pyridinethione; Omadine; 2-Pyridinethiol 1-oxide; 1-hydroxypyridine-2-thione; 1-hydroxypyridine-2(1H)-thione; 1-Hydroxy-2(1H)-pyridinethione; N-Hydroxypyridine-2-thione; SQ 2113; pyridinethiol n-oxide; 2(1H)-Pyridinethione, 1-hydroxy-; NSC-179790; 6GK82EC25D; CHEBI:36578

Frequently Asked Questions

What are the CAS number and molecular formula of 2-Mercaptopyridine-N-oxide?

CAS 1121-31-9; molecular formula C5H5NOS; molecular weight — g/mol.

What other names is 2-Mercaptopyridine-N-oxide known by?

pyrithione, 1121-30-8, 2-MERCAPTOPYRIDINE-N-OXIDE, 1-Hydroxy-2-pyridinethione, Omadine, 2-Pyridinethiol 1-oxide.

What is the regulatory status of 2-Mercaptopyridine-N-oxide?

Documented regulatory listings: FDA Cumulative Estimated Daily Intake (CEDI): FCS.

Is 2-Mercaptopyridine-N-oxide classified as hazardous?

Hazard statements reported: H301, H315, H319, H335.

What are the key physical properties of 2-Mercaptopyridine-N-oxide?

Boiling Point: 100; LogP: 0.4.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.