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Bis[1-(Hydroxy-Κo)-2(1H)-Pyridinethionato-Κs2]Copper
CAS: 14915-37-8 | C10H8CuN2O2S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14915-37-8
Molecular Formula:
C10H8CuN2O2S2
Molecular Mass:
315.87 g/mol
Names and Synonyms:
Bis[1-(Hydroxy-Κo)-2(1H)-Pyridinethionato-Κs2]Copper
Copper, bis[1-(hydroxy-κO)-2(1H)-pyridinethionato-κS2]-
Copper, bis(1-hydroxy-2(1H)-pyridinethionato)-
Copper, bis(1-hydroxy-2(1H)-pyridinethionato-O,S)-
2-Pyridinethiol, 1-oxide, Cu deriv.
2(1H)-Pyridinethione, 1-hydroxy-, copper complex
Bis[1-(hydroxy-κO)-2(1H)-pyridinethionato-κS2]copper
OM 1562
Omadine, cupric
Bis(2-pyridinethiol 1-oxide)copper
NSC 290408
Copper Omadine
Copper(II) pyrithione
Copper Omadine AQ 35
Identifiers:
SMILES:
[Cu+2].[O-]n1ccccc1=S.[O-]n1ccccc1=S
InChI:
InChI=1S/2C5H4NOS.Cu/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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 315.87 g/mol | CAS Common Chemistry |
| 315.86600000000004 g/mol | RDKit | |
| 314.93231699600005 g/mol | RDKit | |
| Canonical SMILES | [O-]1N2C=CC=CC2=[S][Cu+2]13[O-]N4C=CC=CC4=[S]3 | CAS Common Chemistry |
| InChI | InChI=1S/2C5H4NOS.Cu/c2*7-6-4-2-1-3-5(6)8;/h2*1-4H;/q2*-1;+2 | CAS Common Chemistry |
| InChI Key | InChIKey=XDUPUJNNHFTMQS-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Bis[1-(hydroxy-κO)-2(1H)-pyridinethionato-κS2]copper | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 55.98 Ų | RDKit |
| LogP | 3.124480000000001 | RDKit |
| Molar Refractivity | 68.06200000000003 | RDKit |
