[3-(MERCAPTOMETHYL)-2,4,6-TRIMETHYLPHENYL]METHANETHIOL
Catalog No: FT-0609947
CAS No: 10074-13-2
- Chemical Name: [3-(MERCAPTOMETHYL)-2,4,6-TRIMETHYLPHENYL]METHANETHIOL
- Molecular Formula: C11H16S2
- Molecular Weight: 212.4
- InChI Key: FDLRLJPEBZYMMO-UHFFFAOYSA-N
- InChI: InChI=1S/C11H16S2/c1-7-4-8(2)11(6-13)9(3)10(7)5-12/h4,12-13H,5-6H2,1-3H3
| 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: | [2,4,6-trimethyl-3-(sulfanylmethyl)phenyl]methanethiol |
|---|---|
| Flash_Point: | 142.3ºC |
| Melting_Point: | 67-68 °C(lit.) |
| FW: | 212.37500 |
| Density: | 1.067g/cm3 |
| CAS: | 10074-13-2 |
| Bolling_Point: | 342.9ºC at 760mmHg |
| MF: | C11H16S2 |
| Molecular_Structure: | ['1. Molar refractive index 6635 ', '2. Molar volume 1989 ', '3. Parachor (902K)4975 ', '4. Surface tension 39 ', '5. Dielectric constant N/A ', '6. Polarizability 263 ', '7. Single isotope mass 212069341 Da ', '8. Nominal mass 212 Da ', '9. Average mass 2123747 Da'] |
|---|---|
| LogP: | 3.47140 |
| Flash_Point: | 142.3ºC |
| Refractive_Index: | 1.581 |
| FW: | 212.37500 |
| Density: | 1.067g/cm3 |
| Bolling_Point: | 342.9ºC at 760mmHg |
| Computational_Chemistry: | ['1. XlogP :32 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 2 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :142 ', '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: | 67-68 °C(lit.) |
| PSA: | 77.60000 |
| MF: | C11H16S2 |
| Vapor_Pressure: | 0.000144mmHg at 25°C |
| Exact_Mass: | 212.06900 |
| Hazard_Codes: | Xi: Irritant; |
|---|---|
| Risk_Statements(EU): | R36/37/38 |
| HS_Code: | 2930909090 |
| WGK_Germany: | 3 |
| Safety_Statements: | S26-S36 |