METHYL 2-(METHYLTHIO)BENZOATE
Catalog No: FT-0628392
CAS No: 3704-28-7
- Chemical Name: METHYL 2-(METHYLTHIO)BENZOATE
- Molecular Formula: C9H10O2S
- Molecular Weight: 182.24
- InChI Key: CPQDZXPLQXZJGF-UHFFFAOYSA-N
- InChI: InChI=1S/C9H10O2S/c1-11-9(10)7-5-3-4-6-8(7)12-2/h3-6H,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 |
| Melting_Point: | 66-69 °C(lit.) |
|---|---|
| CAS: | 3704-28-7 |
| MF: | C9H10O2S |
| Flash_Point: | 121.4±10.6 °C |
| Product_Name: | Methyl 2-(methylsulfanyl)benzoate |
| Density: | 1.2±0.1 g/cm3 |
| FW: | 182.240 |
| Bolling_Point: | 268.2±23.0 °C at 760 mmHg |
| Refractive_Index: | 1.559 |
|---|---|
| Vapor_Pressure: | 0.0±0.5 mmHg at 25°C |
| Flash_Point: | 121.4±10.6 °C |
| LogP: | 2.88 |
| Bolling_Point: | 268.2±23.0 °C at 760 mmHg |
| FW: | 182.240 |
| PSA: | 51.60000 |
| Computational_Chemistry: | ['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 516 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :159 ', '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: | 66-69 °C(lit.) |
| MF: | C9H10O2S |
| Exact_Mass: | 182.040146 |
| Density: | 1.2±0.1 g/cm3 |
| Hazard_Codes: | Xi: Irritant; |
|---|---|
| HS_Code: | 2930909090 |
| Safety_Statements: | S24/25 |
| WGK_Germany: | 3 |
