Ethyl 2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog No: FT-0678499
CAS No: 76981-71-0
- Chemical Name: Ethyl 2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- Molecular Formula: C12H17NO2S
- Molecular Weight: 239.34
- InChI Key: WSOISFMHBFFWRQ-UHFFFAOYSA-N
- InChI: InChI=1S/C12H17NO2S/c1-3-15-12(14)10-8-5-4-7(2)6-9(8)16-11(10)13/h7H,3-6,13H2,1-2H3
| 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 |
| FW: | 239.33400 |
|---|---|
| CAS: | 76981-71-0 |
| Melting_Point: | N/A |
| Bolling_Point: | 408.4ºC at 760 mmHg |
| MF: | C12H17NO2S |
| Product_Name: | Ethyl 2-amino-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate |
| Flash_Point: | 200.8ºC |
| Density: | 1.182 g/cm3 |
| FW: | 239.33400 |
|---|---|
| MF: | C12H17NO2S |
| Computational_Chemistry: | ['1. XlogP :37 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :3 ', '6. TPSA 806 ', '7. Heavy Atom Count :16 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :272 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :1 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1'] |
| Bolling_Point: | 408.4ºC at 760 mmHg |
| LogP: | 3.21300 |
| Density: | 1.182 g/cm3 |
| PSA: | 80.56000 |
| Refractive_Index: | 1.573 |
| Flash_Point: | 200.8ºC |
| Exact_Mass: | 239.09800 |
| Molecular_Structure: | ['1 . Molar refractive index 6677 ', '2 . Molar volume 2024 ', '3 . Parachor (902K)5264 ', '4 . Surface tension 457 ', '5 . Polarizability 2647'] |
| Hazard_Codes: | Xi: Irritant; |
|---|---|
| HS_Code: | 2934999090 |
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