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Zinc Pyrithione

CAS: 13463-41-7 | C10H8N2O2S2Zn

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 13463-41-7
Molecular Formula: C10H8N2O2S2Zn
Molecular Weight: 317.71000000000004 g/mol

Names and Synonyms:

Zinc Pyrithione
Zincopan
Zinc, bis[1-(hydroxy-κO)-2(1H)-pyridinethionato-κS2]-, (T-4)-
Zinc, bis(1-hydroxy-2(1H)-pyridinethionato)-
Zinc, bis(1-hydroxy-2(1H)-pyridinethionato-O,S)-, (T-4)-
2(1H)-Pyridinethione, 1-hydroxy-, zinc complex
(T-4)-Bis[1-(hydroxy-κO)-2(1H)-pyridinethionato-κS2]zinc
Zinc pyrithione
Omadine Zinc
Pyrithione zinc
Bis(1-hydroxy-2-(1H)-pyridinethionato)zinc
Zinc, bis(2-pyridinylthio)-, N,N′-dioxide
Zinc 2-pyridinethiol 1-oxide
Vancide P
Zinc Omadine
ZPT
OM 1563
2-Mercaptopyridine 1-oxide zinc salt
Zinc 1-hydroxy-2-pyridinethione
2-Pyridinethiol 1-oxide zinc salt
Zinc pyrethion
2-Pyridinethiol N-oxide zinc salt
Zincpolyanemine
Zinc 2-mercaptopyridine N-oxide
Zinc pyridine-2-thione-N-oxide
FSB 8332
1-Hydroxy-2-pyridinethione, zinc salt
Evafine P 50
Tomicide Z 50
Bis(1-hydroxy-2(1H)-pyridinethionato)zinc
Hokucide ZPT
Finecide ZPT
Biocut ZP
Bis(2-pyridinethiol 1-oxide)zinc
BC-J
Tomicide ZPT 50
Niccanon SKT
Niccanon ZP
Marukacide YP-DP
Zinc bis(2-pyridylthio-1-oxide)
Sebulon Shampoo
Desquaman
Danex
ZNP Bar
Tomicide ZPT
NSC 290409
AF-Z
Tomicide ZPT 100
Zinc Pyrion
2-Pyridylthiol-1-oxide zinc salt
Microban Additive ZO 1
ZO-E
Zn Omadine ZOE
Microban Z 01
Sanitized TH 22-27
Clean-Bio ZP
Sanaizol 200
Dantrol
Sanitized TH 27-24BT
Slaoff 95
Slaoff 94
Vedexil-PZ
Hybricide 89
Denistat ANK
ZOE-T
Intercide ZNP
SR-A 103
ZnPT
Zinc Omadine ZOE Dispersion
Zinc Omadine ZOE
TH 22-27
Zinc bis(2-mercaptopyridine-N-oxide)
Zinc Omacide ZOE
FK-C
RUCO-BAC ZPY

Identifiers:

SMILES:
[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]
InChI:
InChI=1S/2C5H4NOS.Zn/c2*7-6-4-2-1-3-5(6)8;/h2*1-4H;/q2*-1;+2

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment
200 ppm 180 160 140 120 100 80 60 40 20 0 ppm
Shift (ppm) DEPT Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

All Properties

Comprehensive physical and chemical properties

Physical Properties

Property Value Source
molecular_mass 317.71 g/mol Legacy Database
density 1.78 g/cm³ Legacy Database
wikipedia_url https://en.wikipedia.org/wiki/Zinc_pyrithione None Legacy Database
cas-canonical-smile [O-]1N2C=CC=CC2=[S][Zn+2]13[O-]N4C=CC=CC4=[S]3 None Legacy Database
cas-density 1.782 g/cm3 @ Temp: 25 °C None Legacy Database
cas-inchi InChI=1S/2C5H4NOS.Zn/c2*7-6-4-2-1-3-5(6)8;/h2*1-4H;/q2*-1;+2 None Legacy Database
cas-inchi-key InChIKey=PICXIOQBANWBIZ-UHFFFAOYSA-N None Legacy Database
cas-melting-point 240 °C (decomp) None Legacy Database
cas-name Pyrithione zinc None Legacy Database
wikipedia-name Zinc pyrithione None Legacy Database
LogP 3.124480000000001 RDKit

Molecular

Property Value Source
Molecular Weight 317.71000000000004 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 315.931861696 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 17 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 6 count RDKit
Hydrogen Bond Donors 0 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 0 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 2 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 55.98 Ų RDKit

Molar

Property Value Source
Molar Refractivity 68.06200000000003 RDKit

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