5-(4-METHYLPHENYL)-1,3,4-OXADIAZOLE-2-THIOL
Catalog No: FT-0620747
CAS No: 3004-42-0
- Molecular Formula: 178.21
- Formula Weight: C8H6N2OS
- Inchl Key: FOHWXVBZGSVUGO-UHFFFAOYSA-N
- Inchl: InChI=1S/C8H6N2OS/c12-8-10-9-7(11-8)6-4-2-1-3-5-6/h1-5H,(H,10,12)
| Assay | Pack | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| Bolling_Point: | 306.9±25.0 °C at 760 mmHg |
|---|---|
| CAS: | 3004-42-0 |
| MF: | C8H6N2OS |
| Melting_Point: | 219-222 °C(lit.) |
| Symbol: | Warning |
| Density: | 1.3±0.1 g/cm3 |
| FW: | 178.211 |
| Product_Name: | 5-Phenyl-1,3,4-oxadiazole-2(3H)-thione |
| Flash_Point: | 139.4±23.2 °C |
| Bolling_Point: | 306.9±25.0 °C at 760 mmHg |
|---|---|
| LogP: | 2.87 |
| More_Info: | ['1 . Appearance 无可用 ', '2 . Density（g/mL,25/4℃）无可用 ', '3 . Relative vapor density（g/mL,Atmosphere =1）无可用 ', '4 . Melting point（ºC）219-222 ', '5 . Boiling point（ºC,Atmospheric pressure）无可用 ', '6 . Boiling point（ºC,52kPa）无可用 ', '7 . Refractive index无可用 ', '8 . Flash point（ºC）无可用 ', '9 . Specific rotation（º）无可用 ', '10 . Spontaneous ignition point or ignition temperature（ºC）无可用 ', '11 . Vapor pressure（kPa,25ºC）无可用 ', '12 . Saturated vapor pressure（kPa,60ºC）无可用 ', '13 . Combustion heat（KJ/mol）无可用 ', '14 . Critical temperature（ºC）无可用 ', '15 . Critical pressure（KPa）无可用 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 无可用 ', '17 . Upper limit of explosion（%,V/V）无可用 ', '18 . Lower limit of explosion（%,V/V）无可用 ', '19 . Solubility 无可用'] |
| Computational_Chemistry: | ['1. XlogP :2 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :2 ', '6. TPSA 657 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :221 ', '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: | 219-222 °C(lit.) |
| Vapor_Pressure: | 0.0±0.6 mmHg at 25°C |
| Exact_Mass: | 178.020081 |
| MF: | C8H6N2OS |
| Density: | 1.3±0.1 g/cm3 |
| Refractive_Index: | 1.612 |
| PSA: | 73.91000 |
| Flash_Point: | 139.4±23.2 °C |
| Molecular_Structure: | ['1 . Molar refractive index 4913 ', '2 . Molar volume （m3/mol）1288 ', '3 . Parachor （902K）3411 ', '4 . Surface tension 491 ', '5 . Polarizability 1947'] |
| FW: | 178.211 |
| Safety_Statements: | H315-H319-H335 |
|---|---|
| HS_Code: | 2934999090 |
| WGK_Germany: | 3 |
| Hazard_Codes: | Xi: Irritant; |
| RTECS: | RO0829900 |
| RIDADR: | NONH for all modes of transport |
| Risk_Statements(EU): | R36/37/38 |
| Symbol: | Warning |
| Personal_Protective_Equipment: | dust mask type N95 (US);Eyeshields;Gloves |
| Warning_Statement: | P261-P305 + P351 + P338 |
