2196-13-6
| Name | THIOISONICOTINAMIDE |
| CAS | 2196-13-6 |
| EINECS(EC#) | 218-592-6 |
| Molecular Formula | C6H6N2S |
| MDL Number | MFCD00006437 |
| Molecular Weight | 138.19 |
| MOL File | 2196-13-6.mol |
Chemical Properties
| Appearance | GREEN ADHERING POWDER |
| Melting point | 199 °C (D) |
| Boiling point | 279℃ |
| density | 1.265 |
| refractive index | 1.5300 (estimate) |
| Fp | 123℃ |
| storage temp. | Keep in dark place,Inert atmosphere,2-8°C |
| solubility | Methanol; Ethyl Acetate |
| form | Crystalline Powder |
| pka | 11.70±0.29(Predicted) |
| color | Cream to beige to yellow-brown |
| BRN | 2174 |
| InChI | InChI=1S/C6H6N2S/c7-6(9)5-1-3-8-4-2-5/h1-4H,(H2,7,9) |
| InChIKey | KPIIGXWUNXGGCP-UHFFFAOYSA-N |
| SMILES | C1=NC=CC(C(N)=S)=C1 |
| CAS DataBase Reference | 2196-13-6(CAS DataBase Reference) |
| EPA Substance Registry System | 4-Pyridinecarbothioamide (2196-13-6) |
Safety Data
| Hazard Codes | Xn,Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| RTECS | US4204000 |
| TSCA | Yes |
| HazardClass | IRRITANT |
| HS Code | 29333990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |