Methyl 4-[(1H-1,2,4-triazol-3-ylsulfanyl)methyl]-phenyl ether
Catalog No: FT-0680129
CAS No: 17357-75-4
- Chemical Name: Methyl 4-[(1H-1,2,4-triazol-3-ylsulfanyl)methyl]-phenyl ether
- Molecular Formula: C10H11N3OS
- Molecular Weight: 221.28
- InChI Key: KFYAPEBBSZVGIF-UHFFFAOYSA-N
- InChI: InChI=1S/C10H11N3OS/c1-14-9-4-2-8(3-5-9)6-15-10-11-7-12-13-10/h2-5,7H,6H2,1H3,(H,11,12,13)
| 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: | 5-[(4-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole |
|---|---|
| Flash_Point: | 213.2ºC |
| Melting_Point: | 85-87ºC |
| FW: | 221.27900 |
| Density: | 1.31g/cm3 |
| CAS: | 17357-75-4 |
| Bolling_Point: | 428.9ºC at 760mmHg |
| MF: | C10H11N3OS |
| Molecular_Structure: | ['1 . Molar refractive index 5999 ', '2 . Molar volume (m3/mol)1685 ', '3 . Parachor (902K)4809 ', '4 . Surface tension 662 ', '5 . Polarizability 2378'] |
|---|---|
| Flash_Point: | 213.2ºC |
| Refractive_Index: | 1.63 |
| FW: | 221.27900 |
| Density: | 1.31g/cm3 |
| Bolling_Point: | 428.9ºC at 760mmHg |
| Computational_Chemistry: | ['1. XlogP :23 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :3 ', '6. TPSA 761 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :186 ', '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'] |
| LogP: | 2.10560 |
| Melting_Point: | 85-87ºC |
| PSA: | 76.10000 |
| MF: | C10H11N3OS |
| More_Info: | ['1 . Appearance 不确定 ', '2 . Density(g/mL,25/4℃)不确定 ', '3 . Relative vapor density(g/mL,Atmosphere =1)不确定 ', '4 . Melting point(ºC)不确定 ', '5 . Boiling point(ºC,Atmospheric pressure)不确定 ', '6 . Boiling point(ºC, 52kPa)不确定 ', '7 . Refractive index不确定 ', '8 . Flash point(ºC)不确定 ', '9 . Specific rotation(º)不确定 ', '10 . Spontaneous ignition point or ignition temperature(ºC)不确定 ', '11 . Vapor pressure(kPa,25ºC)不确定 ', '12 . Saturated vapor pressure(kPa,60ºC)不确定 ', '13 . Combustion heat(KJ/mol)不确定 ', '14 . Critical temperature(ºC)不确定 ', '15 . Critical pressure(KPa)不确定 ', '16 . Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient 不确定 ', '17 . Upper limit of explosion(%,V/V)不确定 ', '18 . Lower limit of explosion(%,V/V)不确定 ', '19 . Solubility 不确定'] |
| Vapor_Pressure: | 1.46E-07mmHg at 25°C |
| Exact_Mass: | 221.06200 |
| HS_Code: | 2933990090 |
|---|
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