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Diisopropylxanthogen Disulfide
CAS: 105-65-7 | C8H14O2S4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
105-65-7
Molecular Formula:
C8H14O2S4
Molecular Mass:
270.47 g/mol
Names and Synonyms:
Diisopropylxanthogen Disulfide
Thioperoxydicarbonic acid ([(HO)C(S)]2S2), C,C′-bis(1-methylethyl) ester
Bis(isopropoxythiocarbonyl) disulfide
Bis(isopropoxythiocarbonyl)disulfane
NSC 402565
Cure-rite DIXIE
Sanbit DIX
(Propan-2-yloxy)([[(propan-2-yloxy)methanethioyl]disulfanyl])methanethione
Isopropylxanthic disulfide
Formic acid, dithiobis[thio-, O,O-diisopropyl ester
Thioperoxydicarbonic acid ([(HO)C(S)]2S2), bis(1-methylethyl) ester
Bis(isopropylxanthogen) disulfide
Diproxid
Isopropyl xanthogen disulfide
Diproxide
Diisopropylxanthogen disulfide
Bis(O-isopropylxanthyl) disulfide
Diisopropyl dixanthogen
O,O-Diisopropyl dithiobis(thioformate)
Diisopropyl xanthogenate disulfide
Bis(2-propyl) dixanthogen
Diisopropyl tetrathioperoxydicarbonate
NSC 1339
Identifiers:
SMILES:
CC(C)OC(=S)SSC(=S)OC(C)C
InChI:
InChI=1S/C8H14O2S4/c1-5(2)9-7(11)13-14-8(12)10-6(3)4/h5-6H,1-4H3
Key Properties
Melting Point
53-57 °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 | 270.47 g/mol | CAS Common Chemistry |
| 270.466 g/mol | RDKit | |
| 269.987663688 g/mol | RDKit | |
| Canonical SMILES | S=C(OC(C)C)SSC(=S)OC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H14O2S4/c1-5(2)9-7(11)13-14-8(12)10-6(3)4/h5-6H,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZWWQICJTBOCQLA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 53-57 °C | CAS Common Chemistry |
| Name | Diisopropylxanthogen disulfide | CAS Common Chemistry |
| Heavy Atom Count | 14 | 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 | 3.787600000000003 | RDKit |
| Molar Refractivity | 72.82000000000002 | RDKit |
