2-Thiomethylpyrimidine-4-carboxylic acid
Catalog No: FT-0649174
CAS No: 1126-44-9
- Chemical Name: 2-Thiomethylpyrimidine-4-carboxylic acid
- Molecular Formula: C6H6N2O2S
- Molecular Weight: 170.19
- InChI Key: IAGNLKODEFUQDV-UHFFFAOYSA-N
- InChI: InChI=1S/C6H6N2O2S/c1-11-6-7-3-2-4(8-6)5(9)10/h2-3H,1H3,(H,9,10)
| 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 |
| Melting_Point: | N/A |
|---|---|
| CAS: | 1126-44-9 |
| MF: | C6H6N2O2S |
| Flash_Point: | 182.6±20.4 °C |
| Product_Name: | 2-(Methylsulfanyl)-4-pyrimidinecarboxylic acid |
| Density: | 1.5±0.1 g/cm3 |
| FW: | 170.189 |
| Bolling_Point: | 378.4±15.0 °C at 760 mmHg |
| Refractive_Index: | 1.623 |
|---|---|
| Vapor_Pressure: | 0.0±0.9 mmHg at 25°C |
| Flash_Point: | 182.6±20.4 °C |
| LogP: | 1.82 |
| Bolling_Point: | 378.4±15.0 °C at 760 mmHg |
| FW: | 170.189 |
| PSA: | 88.38000 |
| Computational_Chemistry: | ['1. XlogP :09 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 884 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :154 ', '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: | C6H6N2O2S |
| Exact_Mass: | 170.014999 |
| Molecular_Structure: | ['1 . Molar refractive index 4126 ', '2 . Molar volume 1170 ', '3 . Parachor （902K）3476 ', '4 . Surface tension 778 ', '5 . Polarizability 1635'] |
| Density: | 1.5±0.1 g/cm3 |
| HS_Code: | 2933599090 |
|---|
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