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Difurfuryl Sulfide
CAS: 13678-67-6 | C10H10O2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13678-67-6
Molecular Formula:
C10H10O2S
Molecular Mass:
194.26 g/mol
Names and Synonyms:
Difurfuryl Sulfide
Furan, 2,2′-[thiobis(methylene)]bis-
Furan, 2,2′-(thiodimethylene)di-
2,2′-[Thiobis(methylene)]bis[furan]
Difurfuryl sulfide
2-[[(Furan-2-ylmethyl)sulfanyl]methyl]furan
2-(Furan-2-ylmethylsulfanylmethyl)furan
Identifiers:
SMILES:
c1coc(CSCc2ccco2)c1
InChI:
InChI=1S/C10H10O2S/c1-3-9(11-5-1)7-13-8-10-4-2-6-12-10/h1-6H,7-8H2
Key Properties
Boiling Point
135-143 °C @ Press: 14 Torr
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 | 194.26 g/mol | CAS Common Chemistry |
| 194.25500000000002 g/mol | RDKit | |
| 194.04015056 g/mol | RDKit | |
| Boiling Point | 135-143 °C @ Press: 14 Torr | CAS Common Chemistry |
| Canonical SMILES | O1C=CC=C1CSCC=2OC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H10O2S/c1-3-9(11-5-1)7-13-8-10-4-2-6-12-10/h1-6H,7-8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=UYLKDZXJEKFFHJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Difurfuryl sulfide | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 26.28 Ų | RDKit |
| LogP | 3.306000000000002 | RDKit |
| Molar Refractivity | 52.41500000000002 | RDKit |
