METHYL 5-BROMO-2-(METHYLSULFANYL)-4-PYRIMIDINECARBOXYLATE,97
Catalog No: FT-0648887
CAS No: 50593-91-4
- Chemical Name: METHYL 5-BROMO-2-(METHYLSULFANYL)-4-PYRIMIDINECARBOXYLATE,97
- Molecular Formula: C7H7BrN2O2S
- Molecular Weight: 263.11
- InChI Key: MYZJIEWTRJTWCD-UHFFFAOYSA-N
- InChI: InChI=1S/C7H7BrN2O2S/c1-12-6(11)5-4(8)3-9-7(10-5)13-2/h3H,1-2H3
| 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 |
| Product_Name: | Methyl 5-bromo-2-(methylthio)pyrimidine-4-carboxylate |
|---|---|
| Flash_Point: | 164.7±22.3 °C |
| Melting_Point: | 67ºC |
| FW: | 263.112 |
| Density: | 1.7±0.1 g/cm3 |
| CAS: | 50593-91-4 |
| Bolling_Point: | 348.7±22.0 °C at 760 mmHg |
| MF: | C7H7BrN2O2S |
| Molecular_Structure: | ['1 . Molar refractive index 5382 ', '2 . Molar volume 1552 ', '3 . Parachor （902K）4420 ', '4 . Surface tension 657 ', '5 . Polarizability 2133'] |
|---|---|
| LogP: | 2.69 |
| Flash_Point: | 164.7±22.3 °C |
| Refractive_Index: | 1.610 |
| FW: | 263.112 |
| Density: | 1.7±0.1 g/cm3 |
| Bolling_Point: | 348.7±22.0 °C at 760 mmHg |
| Computational_Chemistry: | ['1. XlogP :19 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 774 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :193 ', '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'] |
| Melting_Point: | 67ºC |
| PSA: | 77.38000 |
| MF: | C7H7BrN2O2S |
| Vapor_Pressure: | 0.0±0.8 mmHg at 25°C |
| Exact_Mass: | 261.941162 |
| HS_Code: | 2933599090 |
|---|
