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Molecule
Diisopropylxanthogen Disulfide
CAS: 105-65-7 · C8H14O2S4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 105-65-7
- Molecular Formula
- C8H14O2S4
- Molecular Mass
- 270.47 g/mol
Identifiers
CAS Registry Number
105-65-7
SMILES
CC(C)OC(=S)SSC(=S)OC(C)C
InChI Key
ZWWQICJTBOCQLA-UHFFFAOYSA-N
InChI
InChI=1S/C8H14O2S4/c1-5(2)9-7(11)13-14-8(12)10-6(3)4/h5-6H,1-4H3
Names and Synonyms
- Diisopropylxanthogen Disulfide Common Name
- Thioperoxydicarbonic acid ([(HO)C(S)]2S2), C,C′-bis(1-methylethyl) ester Synonym
- Bis(isopropoxythiocarbonyl) disulfide Synonym
- Bis(isopropoxythiocarbonyl)disulfane Synonym
- NSC 402565 Synonym
- Cure-rite DIXIE Synonym
- Sanbit DIX Synonym
- (Propan-2-yloxy)([[(propan-2-yloxy)methanethioyl]disulfanyl])methanethione Synonym
- Isopropylxanthic disulfide Synonym
- Formic acid, dithiobis[thio-, O,O-diisopropyl ester Synonym
- Thioperoxydicarbonic acid ([(HO)C(S)]2S2), bis(1-methylethyl) ester Synonym
- Bis(isopropylxanthogen) disulfide Synonym
- Diproxid Synonym
- Isopropyl xanthogen disulfide Synonym
- Diproxide Synonym
- Diisopropylxanthogen disulfide Synonym
- Bis(O-isopropylxanthyl) disulfide Synonym
- Diisopropyl dixanthogen Synonym
- O,O-Diisopropyl dithiobis(thioformate) Synonym
- Diisopropyl xanthogenate disulfide Synonym
- Bis(2-propyl) dixanthogen Synonym
- Diisopropyl tetrathioperoxydicarbonate Synonym
- NSC 1339 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 270.47 g/mol | CAS Common Chemistry |
| 270.466 g/mol | RDKit | |
| 270.438 g/mol | chempirical lib | |
| 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 |
| 3.7876 | RDKit | |
| Molar Refractivity | 72.82000000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 269.987663688 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
Safety
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MW = 270.47 g/mol. Edit any field — others recompute live.
