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Pyrithione Sodium

CAT: 0543-P065-10GSize: 10 gDry Ice: NoHazardous: Yes
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CAT#:0543-P065-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3811-73-2
UN Code
DG
Applications
Microbiology.
Purity
98.0% - 102.0%
Molecular Formula
C5H5NOS• N/A
Molecular Weight
149.15
Shipping Conditions
Ambient
Storage Conditions
≤30°C

Chemical Information

Sodium (2-pyridylthio)-N-oxide

See also: Pyrithione Sodium (preferred); Pyrithione (has active moiety).

CAS Number3811-73-2
PubChem CID19658
IUPAC Namesodium 1-oxidopyridine-2-thione
Molecular FormulaC5H4NNaOS
Molecular Weight149.15
Topological Polar Surface Area58.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity162
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
InChIKey
XNRNJIIJLOFJEK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sodium (2-pyridylthio)-N-oxide
CAS: 3811-73-2
CID: 19658
Formula: C5H4NNaOS
MW: 149.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight149.15
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass148.99112921
Monoisotopic Mass148.99112921
Topological Polar Surface Area58.4 Ų
Heavy Atom Count9
Formal Charge0
Complexity162
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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