5-METHYL-3-(METHYLTHIO)-1,4-DIPHENYL-1H-1,2,4-TRIAZOLIUM IODIDE
Catalog No: FT-0639427
CAS No: 38054-60-3
- Chemical Name: 5-METHYL-3-(METHYLTHIO)-1,4-DIPHENYL-1H-1,2,4-TRIAZOLIUM IODIDE
- Molecular Formula: C16H16IN3S
- Molecular Weight: 409.3 g/mol
- InChI Key: DYIKGUMVIOCUSG-UHFFFAOYSA-M
- InChI: InChI=1S/C16H16N3S.HI/c1-13-18(14-9-5-3-6-10-14)16(20-2)17-19(13)15-11-7-4-8-12-15;/h3-12H,1-2H3;1H/q+1;/p-1
| 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-methyl-3-(methylthio)-1,4-diphenyl-1h-1,2,4-triazolium iodide |
|---|---|
| Flash_Point: | N/A |
| Melting_Point: | 254-255ºC(lit.) |
| FW: | 409.28800 |
| Density: | N/A |
| CAS: | 38054-60-3 |
| Bolling_Point: | N/A |
| MF: | C16H16IN3S |
| Computational_Chemistry: | ['1 . XlogP ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 3 ', '5 . Isotope Atom Count ', '6 . TPSA 217 ', '7 . Heavy Atom Count 21 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 300 ', '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 2'] |
|---|---|
| LogP: | 0.18330 |
| Melting_Point: | 254-255ºC(lit.) |
| FW: | 409.28800 |
| PSA: | 47.00000 |
| MF: | C16H16IN3S |
| Exact_Mass: | 409.01100 |
| Hazard_Codes: | Xi |
|---|---|
| Risk_Statements(EU): | R36/37/38 |
| HS_Code: | 2933990090 |
| Safety_Statements: | S26;S36 |
