5-isothiocyanato-1,3-dimethylpyrazole
Catalog No: FT-0767465
CAS No: 205246-65-7
- Chemical Name: 5-isothiocyanato-1,3-dimethylpyrazole
- Molecular Formula: C6H7N3S
- Molecular Weight: 153.21
- InChI Key: DOQKYIFHYNIMDJ-UHFFFAOYSA-N
- InChI: InChI=1S/C6H7N3S/c1-5-3-6(7-4-10)9(2)8-5/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 |
| Bolling_Point: | 285.595ºC at 760 mmHg |
|---|---|
| CAS: | 205246-65-7 |
| MF: | C6H7N3S |
| Density: | 1.201g/cm3 |
| Melting_Point: | N/A |
| Product_Name: | 5-isothiocyanato-1,3-dimethylpyrazole |
| Flash_Point: | 126.524ºC |
| FW: | 153.20500 |
| MF: | C6H7N3S |
|---|---|
| Density: | 1.201g/cm3 |
| Computational_Chemistry: | ['1. XlogP :24 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 623 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :164 ', '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'] |
| Exact_Mass: | 153.03600 |
| Vapor_Pressure: | 0.005mmHg at 25°C |
| Flash_Point: | 126.524ºC |
| PSA: | 62.27000 |
| Molecular_Structure: | ['1 . Molar refractive index 4466 ', '2 . Molar volume 1276 ', '3 . Parachor （902K）3186 ', '4 . Surface tension 388 ', '5 . Polarizability 1770'] |
| LogP: | 1.46280 |
| Bolling_Point: | 285.595ºC at 760 mmHg |
| FW: | 153.20500 |
| Refractive_Index: | 1.617 |
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