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Diethyl Dixanthogen Disulfide
CAS: 502-55-6 | C6H10O2S4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
502-55-6
Molecular Formula:
C6H10O2S4
Molecular Mass:
242.41 g/mol
Names and Synonyms:
Diethyl Dixanthogen Disulfide
Thioperoxydicarbonic acid ([(HO)C(S)]2S2), OC,OC′-diethyl ester
Formic acid, dithiobis[thio-, O,O-diethyl ester
Thioperoxydicarbonic acid ([(HO)C(S)]2S2), diethyl ester
Auligen
Aulinogen
Bisethylxanthogen
Bisethylxanthogen disulfide
Diethyl dixanthogen
Diethylxanthogen disulfide
Dithiobis(thioformic acid) O,O-diethyl ester
Dixanthogen
Herbisan
Lenisarin
K Preparation
Bexide
EXD
Herbisan 5
Thioperoxydicarbonic acid diethyl ester
O,O-Diethyl dithiobis[thioformate]
3,8-Dioxa-5,6-dithiadecane-4,7-dithione
Antigal
Aulin
Scabicidol
Xantoscabin
Dixan
Galasan
NSC 402561
Sulfasan
Diexanthogen
Identifiers:
SMILES:
CCOC(=S)SSC(=S)OCC
InChI:
InChI=1S/C6H10O2S4/c1-3-7-5(9)11-12-6(10)8-4-2/h3-4H2,1-2H3
Key Properties
Boiling Point
125 °C @ Press: 0.5 Torr
CAS Common Chemistry
Melting Point
30 °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 | 242.41 g/mol | CAS Common Chemistry |
| 242.412 g/mol | RDKit | |
| 241.95636356 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Diethyl_dixanthogen_disulfide | CAS Common Chemistry |
| Boiling Point | 125 °C @ Press: 0.5 Torr | CAS Common Chemistry |
| Canonical SMILES | S=C(OCC)SSC(=S)OCC | CAS Common Chemistry |
| InChI | InChI=1S/C6H10O2S4/c1-3-7-5(9)11-12-6(10)8-4-2/h3-4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FVIGODVHAVLZOO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 30 °C | CAS Common Chemistry |
| Name | Dixanthogen | CAS Common Chemistry |
| Diethyl dixanthogen disulfide | CAS Common Chemistry | |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | 3.010600000000001 | RDKit |
| Molar Refractivity | 63.630000000000024 | RDKit |
