4-(1,2,3-THIADIAZOL-4-YL)BENZOIC ACID
Catalog No: FT-0616442
CAS No: 187999-31-1
- Chemical Name: 4-(1,2,3-THIADIAZOL-4-YL)BENZOIC ACID
- Molecular Formula: C9H6N2O2S
- Molecular Weight: 206.22
- InChI Key: ZSLQSWJLGAVDIX-UHFFFAOYSA-N
- InChI: InChI=1S/C9H6N2O2S/c12-9(13)7-3-1-6(2-4-7)8-5-14-11-10-8/h1-5H,(H,12,13)
| 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: | 4-(thiadiazol-4-yl)benzoic acid |
|---|---|
| Flash_Point: | 205ºC |
| Melting_Point: | 230ºC |
| FW: | 206.22100 |
| Density: | 1.44g/cm3 |
| CAS: | 187999-31-1 |
| Bolling_Point: | 415.4ºC at 760mmHg |
| MF: | C9H6N2O2S |
| Molecular_Structure: | ['1 . Molar refractive index 5234 ', '2 . Molar volume 1431 ', '3 . Parachor (902K)4142 ', '4 . Surface tension 700 ', '5 . Polarizability 2074'] |
|---|---|
| LogP: | 1.90330 |
| Flash_Point: | 205ºC |
| Refractive_Index: | 1.651 |
| FW: | 206.22100 |
| Density: | 1.44g/cm3 |
| Bolling_Point: | 415.4ºC at 760mmHg |
| Computational_Chemistry: | ['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 913 ', '7. Heavy Atom Count :14 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :217 ', '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: | 230ºC |
| PSA: | 91.32000 |
| MF: | C9H6N2O2S |
| Vapor_Pressure: | 1.21E-07mmHg at 25°C |
| Exact_Mass: | 206.01500 |
| Hazard_Codes: | Xi: Irritant; |
|---|---|
| Risk_Statements(EU): | R36/37/38 |
| HS_Code: | 2934999090 |
| Safety_Statements: | S26-S37/39 |
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