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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.
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 |
