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Diphenyl Disulfide
CAS: 882-33-7 | C12H10S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
882-33-7
Molecular Formula:
C12H10S2
Molecular Mass:
218.35 g/mol
Names and Synonyms:
Diphenyl Disulfide
DPDS
NSC 2689
1,2-Diphenyldisulfane
(Phenyldisulfanyl)benzene
1,1′-Dithiodibenzene
Disulfide, diphenyl
Phenyl disulfide
Diphenyl disulfide
Biphenyl disulfide
Diphenyl disulphide
Identifiers:
SMILES:
c1ccc(SSc2ccccc2)cc1
InChI:
InChI=1S/C12H10S2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H
Key Properties
Boiling Point
310 °C
CAS Common Chemistry
Melting Point
62 °C
CAS Common Chemistry
Density
1.11 g/cm³
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 | 218.35 g/mol | CAS Common Chemistry |
| 218.34600000000003 g/mol | RDKit | |
| 218.02239232 g/mol | RDKit | |
| Density | 1.11 g/cm³ | CAS Common Chemistry |
| 1.110 g/cm3 @ Temp: 118.0 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Diphenyl_disulfide | CAS Common Chemistry |
| Boiling Point | 310 °C | CAS Common Chemistry |
| Canonical SMILES | S(SC=1C=CC=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H10S2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H | CAS Common Chemistry |
| InChI Key | InChIKey=GUUVPOWQJOLRAS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 62 °C | CAS Common Chemistry |
| Name | Diphenyl disulfide | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 4.486000000000002 | RDKit |
| Molar Refractivity | 64.59800000000003 | RDKit |
