DIMETHYL 3-THIAADIPATE
Catalog No: FT-0625060
CAS No: 7400-45-5
- Molecular Formula: 192.24
- Formula Weight: C7H12O4S
- Inchl Key: XNDKLLFGXIEGKL-UHFFFAOYSA-N
- Inchl: InChI=1S/C7H12O4S/c1-10-6(8)3-4-12-5-7(9)11-2/h3-5H2,1-2H3
| Assay | Pack | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| Bolling_Point: | 258-259ºC(lit.) |
|---|---|
| Symbol: | GHS02 |
| MF: | C7H12O4S |
| Melting_Point: | N/A |
| Flash_Point: | 130 °F |
| FW: | 192.23300 |
| Product_Name: | methyl 3-(2-methoxy-2-oxoethyl)sulfanylpropanoate |
| CAS: | 7400-45-5 |
| Density: | 1.164g/cm3 |
| PSA: | 77.90000 |
|---|---|
| Bolling_Point: | 258-259ºC(lit.) |
| Molecular_Structure: | ['五分子性质数据 ', '1 . Molar refractive index 4602 ', '2 . Molar volume （m3/mol）1650 ', '3 . Parachor （902K）4107 ', '4 . Surface tension 383 ', '5 . Polarizability 1824'] |
| LogP: | 0.45570 |
| More_Info: | ['1 . Appearance Liquid ', '2 . Density（g/mLat 25°C）1154 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）285-289 ', '6 . Boiling point（ºC,01mmHg）Unknow ', '7 . Refractive index（n20/D）14750 ', '8 . Flash point（ºC）74 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,37ºC）Unknow ', '12 . Saturated vapor pressure（kPa,1144 ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（MPa）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'] |
| MF: | C7H12O4S |
| Computational_Chemistry: | ['1. XlogP :06 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :7 ', '5. Isotope Atom Count :N/A ', '6. TPSA 779 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :158 ', '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'] |
| Refractive_Index: | n20/D 1.4750(lit.) |
| Flash_Point: | 130 °F |
| FW: | 192.23300 |
| Exact_Mass: | 192.04600 |
| Density: | 1.164g/cm3 |
| Safety_Statements: | 16-24/25 |
|---|---|
| Symbol: | GHS02 |
| HS_Code: | 2930909090 |
| Personal_Protective_Equipment: | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Risk_Statements(EU): | 10 |
| RIDADR: | UN 1993 3/PG 3 |
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