![4-METHYL-5-PYRIDIN-4-YL-4H-[1,2,4]TRIAZOLE-3-THIOL Structure](/CAS/GIF/3652-32-2.gif)
4-METHYL-5-PYRIDIN-4-YL-4H-[1,2,4]TRIAZOLE-3-THIOL
- Product Name4-METHYL-5-PYRIDIN-4-YL-4H-[1,2,4]TRIAZOLE-3-THIOL
- CAS3652-32-2
- MFC8H8N4S
- MW192.24
- EINECS
- MOL File3652-32-2.mol
Chemical Properties
| Melting point | 287 °C |
| Boiling point | 294.6±32.0 °C(Predicted) |
| Density | 1.40±0.1 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| form | solid |
| pka | 8.18±0.20(Predicted) |
| color | Off-white/faint yellow |
| InChI | InChI=1S/C8H8N4S/c1-12-7(10-11-8(12)13)6-2-4-9-5-3-6/h2-5H,1H3,(H,11,13) |
| InChIKey | ACDUEIIMRXEFHO-UHFFFAOYSA-N |
| SMILES | N1=C(C2C=CN=CC=2)N(C)C(=S)N1 |
| CAS DataBase Reference | 3652-32-2(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi |
| HazardClass | IRRITANT |
| HS Code | 2933998090 |
| Toxicity | mouse,LD50,oral,1100mg/kg (1100mg/kg),Journal of Medicinal Chemistry. Vol. 8, Pg. 676, 1965. |