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Difurfuryl Disulfide
CAS: 4437-20-1 | C10H10O2S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4437-20-1
Molecular Formula:
C10H10O2S2
Molecular Mass:
226.32 g/mol
Names and Synonyms:
Difurfuryl Disulfide
Furan, 2,2′-[dithiobis(methylene)]bis-
Furan, 2,2′-(dithiodimethylene)di-
2,2′-[Dithiobis(methylene)]bis[furan]
Furfuryl disulfide
Difurfuryl disulfide
Bisfurfuryl disulfide
Bis(2-furylmethyl) disulfide
Bis(furan-2-ylmethyl) disulfide
Di(furan-2-ylmethyl) disulfide
2-[(Furan-2-ylmethyldisulfanyl)methyl]furan
Identifiers:
SMILES:
c1coc(CSSCc2ccco2)c1
InChI:
InChI=1S/C10H10O2S2/c1-3-9(11-5-1)7-13-14-8-10-4-2-6-12-10/h1-6H,7-8H2
Key Properties
Boiling Point
160-165 °C @ Press: 5 Torr
CAS Common Chemistry
Melting Point
10 °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 | 226.32 g/mol | CAS Common Chemistry |
| 226.322 g/mol | RDKit | |
| 226.01222156 g/mol | RDKit | |
| Boiling Point | 160-165 °C @ Press: 5 Torr | CAS Common Chemistry |
| Canonical SMILES | O1C=CC=C1CSSCC=2OC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H10O2S2/c1-3-9(11-5-1)7-13-14-8-10-4-2-6-12-10/h1-6H,7-8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=CBJPZHSWLMJQRI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 10 °C | CAS Common Chemistry |
| Name | Difurfuryl disulfide | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 26.28 Ų | RDKit |
| LogP | 3.954200000000003 | RDKit |
| Molar Refractivity | 60.00600000000002 | RDKit |
