2-Mercaptopyridine N-oxide sodium salt - CAS 3811-73-2

Name: 2-Mercaptopyridine N-oxide sodium salt
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB023537
Product Name:	2-Mercaptopyridine N-oxide sodium salt
CAS:	3811-73-2
Synonyms:	2-Pyridinethiol 1-Oxide Sodium Salt; Sodium (2-pyridylthio)-N-oxide; 1-Oxo-2-pyridinethiol Sodium Salt; 2-Mercaptopyridine 1-Oxide Sodium Salt; 2-Mercaptopyridine Oxide Sodium Salt; 2-Pyridinethiol N-Oxide Sodium Salt; 2-Pyridylthiol-N-oxide Sodium Salt; San-aibac Sodium Omadine; Sodium (2-pyridylthio-1-oxide); Sodium 2-mercaptopyridine 1-Oxide; Sodium 2-Mercaptopyridine N-Oxide; Sodium 2-Pyridinethiol 1-Oxide; Sodium 2-Pyridinethiol N-Oxide; Sodium 2-Pyridinethiolate 1-Oxide; Sodium 2-Pyridinethiolate N-Oxide; Sodium Pyridine-1-oxide-2-thiolate; Sodium Pyridine-2-thione-N-oxide; Sodium Pyrithione

Technical Data

Related CAS:	1121-31-9 (free acid)
IUPAC Name:	sodium;1-oxidopyridine-2-thione
Description:	A biocide with a broad spectrum of activity against fungi and gram-positive and gram-negative bacteria.
Molecular Weight:	149.15
Molecular Formula:	C5H4NNaOS
Canonical SMILES:	C1=CC(=S)N(C=C1)[O-].[Na+]
InChI:	InChI=1S/C5H4NOS.Na/c7-6-4-2-1-3-5(6)8;/h1-4H;/q-1;+1
InChI Key:	XNRNJIIJLOFJEK-UHFFFAOYSA-N
Boiling Point:	109 °C
Melting Point:	>270 °C (dec.)
Purity:	≥ 98 %
Density:	1.22 g/cm³
Solubility:	Slightly soluble in Methanol, Water
Appearance:	White to pale yellow solid
Storage:	Store at -20 °C under inert atmosphere
MDL:	MFCD01941547
LogP:	1.02090
Vapor Pressure:	0.00000007 [mmHg]

GHS Hazard Statement:	H302+H312+H332 (49.5%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P391, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021019412-A1	Composition of chlorantraniliprole, picoxystrobin and propiconazole	20190726
US-2020377738-A1	Exterior coating composition	20190531
JP-2020050718-A	Elastomer composition for bathroom articles and bathroom articles	20180925
BR-112020022770-A2	suspension composition, granular composition, composition preparation processes and method for improving plant health or yield	20180510
BR-112020022805-A2	liquid suspension composition, granular composition, composition preparation processes and method for improving plant health or yield	20180510

PMID	Publication Date	Title	Journal
22561701	20120815	Species sensitivity distribution approach to primary risk analysis of the metal pyrithione photodegradation product, 2,2'-dipyridyldisulfide in the Inland Sea and induction of notochord undulation in fish embryos	Aquatic toxicology (Amsterdam, Netherlands)
22025275	20111125	The versatile binding mode of transition-state analogue inhibitors of tyrosinase towards dicopper(II) model complexes: experimental and theoretical investigations	Chemistry (Weinheim an der Bergstrasse, Germany)
21647943	20110901	Single-substance and mixture toxicity of five pharmaceuticals and personal care products to marine periphyton communities	Environmental toxicology and chemistry
21722066	20110701	Dense fouling in acid transfer pipelines by an acidophilic rubber degrading fungus	Biofouling
21510712	20110525	Precursors and formation of pyrithione and other pyridyl-containing sulfur compounds in drumstick onion, Allium stipitatum	Journal of agricultural and food chemistry

Complexity:	162
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	148.99112921
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	148.99112921
Rotatable Bond Count:	0
Topological Polar Surface Area:	58.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0