2-(METHYLTHIO)BENZONITRILE
Catalog No: FT-0608858
CAS No: 6609-54-7
- Molecular Formula: 149.21
- Formula Weight: C8H7NS
- Inchl Key: PXZSANDJGNKIIA-UHFFFAOYSA-N
- Inchl: InChI=1S/C8H7NS/c1-10-8-5-3-2-4-7(8)6-9/h2-5H,1H3
| Assay | Pack | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| Bolling_Point: | 116-117°C 5mm |
|---|---|
| MF: | C8H7NS |
| Density: | 1.14g/cm3 |
| FW: | 149.21300 |
| Product_Name: | 2-methylsulfanylbenzonitrile |
| CAS: | 6609-54-7 |
| Flash_Point: | 116-117°C/5mm |
| Melting_Point: | 37-39°C |
| Exact_Mass: | 149.03000 |
|---|---|
| MF: | C8H7NS |
| Density: | 1.14g/cm3 |
| FW: | 149.21300 |
| Refractive_Index: | 1.589 |
| Bolling_Point: | 116-117°C 5mm |
| PSA: | 49.09000 |
| LogP: | 2.28018 |
| Flash_Point: | 116-117°C/5mm |
| Computational_Chemistry: | ['1. XlogP :22 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 491 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :147 ', '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: | 37-39°C |
| Safety_Statements: | S36/37 |
|---|---|
| Packing_Group: | III |
| RIDADR: | 3439 |
| Hazard_Class: | 6.1 |
| HS_Code: | 2930909090 |
| Risk_Statements(EU): | R20/21/22 |
