METHYL 4-OXOTETRAHYDROTHIOPHENE-3-CARBOXYLATE
Catalog No: FT-0628657
CAS No: 2689-68-1
- Molecular Formula: 160.19
- Formula Weight: C6H8O3S
- Inchl Key: LEAKUJFYXNILRB-UHFFFAOYSA-N
- Inchl: InChI=1S/C6H8O3S/c1-9-6(8)4-2-10-3-5(4)7/h4H,2-3H2,1H3
| Assay | Pack | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| Melting_Point: | 38-41ºC |
|---|---|
| CAS: | 2689-68-1 |
| MF: | C6H8O3S |
| Flash_Point: | 116.7±15.4 °C |
| Product_Name: | 4-Carbomethoxytetrahydro-3-thiophenone |
| Density: | 1.3±0.1 g/cm3 |
| FW: | 160.191 |
| Bolling_Point: | 248.4±40.0 °C at 760 mmHg |
| Refractive_Index: | 1.528 |
|---|---|
| Vapor_Pressure: | 0.0±0.5 mmHg at 25°C |
| Flash_Point: | 116.7±15.4 °C |
| LogP: | -0.10 |
| Bolling_Point: | 248.4±40.0 °C at 760 mmHg |
| FW: | 160.191 |
| PSA: | 68.67000 |
| Computational_Chemistry: | ['1. XlogP :05 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :5 ', '6. TPSA :687 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :166 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :1 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1'] |
| Melting_Point: | 38-41ºC |
| MF: | C6H8O3S |
| Exact_Mass: | 160.019409 |
| Density: | 1.3±0.1 g/cm3 |
| Safety_Statements: | 26-37/39 |
|---|---|
| Hazard_Codes: | Xi: Irritant; |
| HS_Code: | 2934999090 |
| Risk_Statements(EU): | R36/37/38 |
