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Molecule
Difurfuryl Disulfide
CAS: 4437-20-1 · C10H10O2S2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4437-20-1
- Molecular Formula
- C10H10O2S2
- Molecular Mass
- 226.32 g/mol
Identifiers
CAS Registry Number
4437-20-1
SMILES
c1coc(CSSCc2ccco2)c1
InChI Key
CBJPZHSWLMJQRI-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O2S2/c1-3-9(11-5-1)7-13-14-8-10-4-2-6-12-10/h1-6H,7-8H2
Names and Synonyms
- Difurfuryl Disulfide Common Name
- Furan, 2,2′-[dithiobis(methylene)]bis- Synonym
- Furan, 2,2′-(dithiodimethylene)di- Synonym
- 2,2′-[Dithiobis(methylene)]bis[furan] Synonym
- Furfuryl disulfide Synonym
- Difurfuryl disulfide Synonym
- Bisfurfuryl disulfide Synonym
- Bis(2-furylmethyl) disulfide Synonym
- Bis(furan-2-ylmethyl) disulfide Synonym
- Di(furan-2-ylmethyl) disulfide Synonym
- 2-[(Furan-2-ylmethyldisulfanyl)methyl]furan Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 226.32 g/mol | CAS Common Chemistry |
| 226.322 g/mol | RDKit | |
| 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 |
| 3.9542 | RDKit | |
| Molar Refractivity | 60.00600000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 226.01222156 g/mol | RDKit |
| Boiling Point | 160-165 °C @ 5 Torr | CAS Common Chemistry |
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.
External Resources
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MW = 226.32 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H10O2S2.
