2-[[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbothioyl]-methylamino]acetic acid
Catalog No: FT-0753651
CAS No: 82964-04-3
- Molecular Formula: 357.3
- Formula Weight: C16H14F3NO3S
- Inchl Key: LUBHDINQXIHVLS-UHFFFAOYSA-N
- Inchl: InChI=1S/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22)
| 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: | N/A |
|---|---|
| FW: | 357.348 |
| CAS: | 82964-04-3 |
| MF: | C16H14F3NO3S |
| Flash_Point: | 255.0±31.5 °C |
| Product_Name: | Tolrestat |
| Bolling_Point: | 498.1±55.0 °C at 760 mmHg |
| Density: | 1.4±0.1 g/cm3 |
| Refractive_Index: | 1.602 |
|---|---|
| Vapor_Pressure: | 0.0±1.3 mmHg at 25°C |
| Flash_Point: | 255.0±31.5 °C |
| LogP: | 3.41 |
| Bolling_Point: | 498.1±55.0 °C at 760 mmHg |
| FW: | 357.348 |
| PSA: | 81.86000 |
| Computational_Chemistry: | ['1. XlogP :37 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :7 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :N/A ', '6. TPSA 819 ', '7. Heavy Atom Count :24 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :486 ', '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'] |
| MF: | C16H14F3NO3S |
| Exact_Mass: | 357.064636 |
| Molecular_Structure: | ['1 . Molar refractive index 8759 ', '2 . Molar volume 2553 ', '3 . Parachor （902K）6786 ', '4 . Surface tension 499 ', '5 . Polarizability 3472'] |
| Density: | 1.4±0.1 g/cm3 |
