![2-[4,5-bis(pentylsulfanyl)-1,3-dithiol-2-ylidene]-4,5-bis(pentylsulfanyl)-1,3-dithiole (CAS: 106920-29-0) - Chemical Structure and Molecular Formula](/static/img/prod_pic/FT-0742817.png "2-[4,5-bis(pentylsulfanyl)-1,3-dithiol-2-ylidene]-4,5-bis(pentylsulfanyl)-1,3-dithiole chemical structure")
2-[4,5-bis(pentylsulfanyl)-1,3-dithiol-2-ylidene]-4,5-bis(pentylsulfanyl)-1,3-dithiole
Catalog No: FT-0742817
CAS No: 106920-29-0
- Chemical Name: 2-[4,5-bis(pentylsulfanyl)-1,3-dithiol-2-ylidene]-4,5-bis(pentylsulfanyl)-1,3-dithiole
- Molecular Formula: C26H44S8
- Molecular Weight: 613.2
- InChI Key: LFXNQRWLTHGAND-UHFFFAOYSA-N
- InChI: InChI=1S/C26H44S8/c1-5-9-13-17-27-21-22(28-18-14-10-6-2)32-25(31-21)26-33-23(29-19-15-11-7-3)24(34-26)30-20-16-12-8-4/h5-20H2,1-4H3
| Assay | Pack Size | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| Bolling_Point: | 594.551ºC at 760 mmHg |
|---|---|
| CAS: | 106920-29-0 |
| MF: | C26H44S8 |
| Density: | 1.211g/cm3 |
| Melting_Point: | 32ºC |
| Product_Name: | 2-[4,5-bis(pentylsulfanyl)-1,3-dithiol-2-ylidene]-4,5-bis(pentylsulfanyl)-1,3-dithiole |
| Flash_Point: | 292.989ºC |
| FW: | 613.14800 |
| MF: | C26H44S8 |
|---|---|
| Density: | 1.211g/cm3 |
| Computational_Chemistry: | ['1. XlogP :126 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :8 ', '4. Rotatable Bond Count :20 ', '5. Isotope Atom Count :N/A ', '6. TPSA 202 ', '7. Heavy Atom Count :34 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :560 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1'] |
| More_Info: | ['1 . Appearance Unknow ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）32 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC，12mmHg）Unknow ', '7 . Refractive index(n20/D)Unknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,25ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Unknow'] |
| Exact_Mass: | 612.12100 |
| Vapor_Pressure: | 0mmHg at 25°C |
| Flash_Point: | 292.989ºC |
| PSA: | 202.40000 |
| Molecular_Structure: | ['1. Molar refractive index 18083 ', '2. Molar volume 5065 ', '3. Parachor （902K）13723 ', '4. Surface tension 538 ', '5. Dielectric constant N/A ', '6. Polarizability 7168 ', '7. Single isotope mass 612120861 Da ', '8. Nominal mass 612 Da ', '9. Average mass 6131476 Da'] |
| LogP: | 13.01980 |
| Melting_Point: | 32ºC |
| Bolling_Point: | 594.551ºC at 760 mmHg |
| FW: | 613.14800 |
| Refractive_Index: | 1.633 |
| HS_Code: | 2930909090 |
|---|
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