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2,2'-Dipyridyldisulfide
CAS: 2127-03-9 | C10H8N2S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2127-03-9
Molecular Formula:
C10H8N2S2
Molecular Mass:
220.32 g/mol
Names and Synonyms:
2,2'-Dipyridyldisulfide
Pyridine, 2,2′-dithiobis-
Pyridine, 2,2′-dithiodi-
2,2′-Dithiobis[pyridine]
2,2′-Dithiodipyridine
2,2′-Dipyridyl disulfide
Bis(2-pyridyl) disulfide
Di-2-pyridyl disulfide
Bis(2-pyridinyl) disulfide
2-Pyridyl disulfide
Aldrithiol 2
2,2′-Dipyridinyl disulfide
NSC 677438
2-Aldrithiol
NSC 94055
Bis(pyridin-2-yl) disulfide
1,2-Bis(2-pyridinyl) disulfide
2,2′-Bipyridyl disulfide
2′-Aldrithiol
Di-2-pyridinyl disulfide
2,2′-Disulfanediyldipyridine
1,2-Di(pyridin-2-yl)disulfane
2,2-Dithiobispyridine
2-(Pyridin-2-yldisulfanyl)pyridine
Identifiers:
SMILES:
c1ccc(SSc2ccccn2)nc1
InChI:
InChI=1S/C10H8N2S2/c1-3-7-11-9(5-1)13-14-10-6-2-4-8-12-10/h1-8H
Key Properties
Melting Point
51-52 °C
CAS Common Chemistry
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 | 220.32 g/mol | CAS Common Chemistry |
| 220.32200000000003 g/mol | RDKit | |
| 220.012890256 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2,2%27-Dipyridyldisulfide | CAS Common Chemistry |
| Canonical SMILES | N=1C=CC=CC1SSC2=NC=CC=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H8N2S2/c1-3-7-11-9(5-1)13-14-10-6-2-4-8-12-10/h1-8H | CAS Common Chemistry |
| InChI Key | InChIKey=HAXFWIACAGNFHA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 51-52 °C | CAS Common Chemistry |
| Name | 2,2′-Dipyridyl disulfide | CAS Common Chemistry |
| 2,2'-Dipyridyldisulfide | CAS Common Chemistry | |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 25.78 Ų | RDKit |
| LogP | 3.2760000000000016 | RDKit |
| Molar Refractivity | 60.188000000000024 | RDKit |
