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Molecule
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
Identifiers
CAS Registry Number
502-55-6
SMILES
CCOC(=S)SSC(=S)OCC
InChI Key
FVIGODVHAVLZOO-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O2S4/c1-3-7-5(9)11-12-6(10)8-4-2/h3-4H2,1-2H3
Names and Synonyms
- Diethyl Dixanthogen Disulfide Synonym
- Thioperoxydicarbonic acid ([(HO)C(S)]2S2), OC,OC′-diethyl ester Synonym
- Formic acid, dithiobis[thio-, O,O-diethyl ester Synonym
- Thioperoxydicarbonic acid ([(HO)C(S)]2S2), diethyl ester Synonym
- Auligen Synonym
- Aulinogen Synonym
- Bisethylxanthogen Synonym
- Bisethylxanthogen disulfide Synonym
- Diethyl dixanthogen Synonym
- Diethylxanthogen disulfide Synonym
- Dithiobis(thioformic acid) O,O-diethyl ester Synonym
- Dixanthogen Synonym
- Herbisan Synonym
- Lenisarin Synonym
- K Preparation Synonym
- Bexide Synonym
- EXD Synonym
- Herbisan 5 Synonym
- Thioperoxydicarbonic acid diethyl ester Synonym
- O,O-Diethyl dithiobis[thioformate] Synonym
- 3,8-Dioxa-5,6-dithiadecane-4,7-dithione Synonym
- Antigal Synonym
- Aulin Synonym
- Scabicidol Synonym
- Xantoscabin Synonym
- Dixan Synonym
- Galasan Synonym
- NSC 402561 Synonym
- Sulfasan Synonym
- Diexanthogen Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 242.41 g/mol | CAS Common Chemistry |
| 242.412 g/mol | RDKit | |
| 242.384 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Diethyl_dixanthogen_disulfide | 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 |
| 3.0106 | RDKit | |
| Molar Refractivity | 63.630000000000024 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 241.95636356 g/mol | RDKit |
| Boiling Point | 125 °C @ 0.5 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.
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MW = 242.41 g/mol. Edit any field — others recompute live.
