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Molecule
2,2'-Dipyridyldisulfide
CAS: 2127-03-9 · C10H8N2S2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2127-03-9
- Molecular Formula
- C10H8N2S2
- Molecular Mass
- 220.32 g/mol
Identifiers
CAS Registry Number
2127-03-9
SMILES
c1ccc(SSc2ccccn2)nc1
InChI Key
HAXFWIACAGNFHA-UHFFFAOYSA-N
InChI
InChI=1S/C10H8N2S2/c1-3-7-11-9(5-1)13-14-10-6-2-4-8-12-10/h1-8H
Names and Synonyms
- 2,2'-Dipyridyldisulfide Synonym
- Pyridine, 2,2′-dithiobis- Synonym
- Pyridine, 2,2′-dithiodi- Synonym
- 2,2′-Dithiobis[pyridine] Synonym
- 2,2′-Dithiodipyridine Synonym
- 2,2′-Dipyridyl disulfide Synonym
- Bis(2-pyridyl) disulfide Synonym
- Di-2-pyridyl disulfide Synonym
- Bis(2-pyridinyl) disulfide Synonym
- 2-Pyridyl disulfide Synonym
- Aldrithiol 2 Synonym
- 2,2′-Dipyridinyl disulfide Synonym
- NSC 677438 Synonym
- 2-Aldrithiol Synonym
- NSC 94055 Synonym
- Bis(pyridin-2-yl) disulfide Synonym
- 1,2-Bis(2-pyridinyl) disulfide Synonym
- 2,2′-Bipyridyl disulfide Synonym
- 2′-Aldrithiol Synonym
- Di-2-pyridinyl disulfide Synonym
- 2,2′-Disulfanediyldipyridine Synonym
- 1,2-Di(pyridin-2-yl)disulfane Synonym
- 2,2-Dithiobispyridine Synonym
- 2-(Pyridin-2-yldisulfanyl)pyridine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 220.32 g/mol | CAS Common Chemistry |
| 220.32200000000003 g/mol | RDKit | |
| 220.322 g/mol | RDKit | |
| 222.201 g/mol | chempirical lib | |
| 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 |
| 3.276 | RDKit | |
| Molar Refractivity | 60.188000000000024 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 220.012890256 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
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MW = 220.32 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H8N2S2.
