3-(5-MERCAPTO-1,3,4-THIADIAZOL-2-YLTHIO)PROPIONIC ACID
Catalog No: FT-0613703
CAS No: 57658-21-6
- Chemical Name: 3-(5-MERCAPTO-1,3,4-THIADIAZOL-2-YLTHIO)PROPIONIC ACID
- Molecular Formula: C5H6N2O2S3
- Molecular Weight: 222.3
- InChI Key: GJIWVACHHXLDQV-UHFFFAOYSA-N
- InChI: InChI=1S/C5H6N2O2S3/c8-3(9)1-2-11-5-7-6-4(10)12-5/h1-2H2,(H,6,10)(H,8,9)
| 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: | 3-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]propanoic acid |
|---|---|
| Flash_Point: | 196.1ºC |
| Melting_Point: | N/A |
| FW: | 222.30800 |
| Density: | 1.76g/cm3 |
| CAS: | 57658-21-6 |
| Bolling_Point: | 400.6ºC at 760 mmHg |
| MF: | C5H6N2O2S3 |
| Density: | 1.76g/cm3 |
|---|---|
| Computational_Chemistry: | ['1. XlogP :14 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :6 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :2 ', '6. TPSA 144 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :241 ', '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'] |
| LogP: | 1.39360 |
| Flash_Point: | 196.1ºC |
| Refractive_Index: | 1.797 |
| FW: | 222.30800 |
| PSA: | 155.42000 |
| MF: | C5H6N2O2S3 |
| Bolling_Point: | 400.6ºC at 760 mmHg |
| Exact_Mass: | 221.95900 |
| HS_Code: | 2934999090 |
|---|
