2196-13-6
Thioisonicotinamide
CAS: 2196-13-6
Molecular Formula: C6H6N2S
2196-13-6 - Names and Identifiers
| Name | Thioisonicotinamide |
| Synonyms | AKOS BBS-00004465 THIOISONICOTINAMIDE Thioisonicotinamide Isothionicotinamide isonicotinthioamide PYRIDINE-4-THIOAMIDE SALOR-INT L496626-1EA 4-PYRIDYLTHIOCARBOXAMIDE thio-4-pyridinecarboxamid 4-PYRIDINETHIOCARBOXAMIDE pyridine-4-carbothioamide Pyridine-4-thiocarboxamide PYRIDINE-4-CARBOTHIOIC ACID AMIDE |
| CAS | 2196-13-6 |
| EINECS | 218-592-6 |
| InChI | InChI=1/C6H6N2S/c7-6(9)5-1-3-8-4-2-5/h1-4H,(H2,7,9) |
| InChIKey | KPIIGXWUNXGGCP-UHFFFAOYSA-N |
2196-13-6 - Physico-chemical Properties
| Molecular Formula | C6H6N2S |
| Molar Mass | 138.19 |
| Density | 1.265 |
| Melting Point | 199 °C (D) |
| Boling Point | 279℃ |
| Flash Point | 123℃ |
| Solubility | Methanol; Ethyl Acetate |
| Vapor Presure | 0.00415mmHg at 25°C |
| Appearance | Crystalline Powder |
| Color | Cream to beige to yellow-brown |
| BRN | 2174 |
| pKa | 11.70±0.29(Predicted) |
| Storage Condition | under inert gas (nitrogen or Argon) at 2–8 °C |
| Refractive Index | 1.5300 (estimate) |
2196-13-6 - Risk and Safety
| Risk Codes | R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R42/43 - May cause sensitization by inhalation and skin contact. R36/37/38 - Irritating to eyes, respiratory system and skin. R22 - Harmful if swallowed |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S36 - Wear suitable protective clothing. |
| WGK Germany | 3 |
| RTECS | US4204000 |
| TSCA | Yes |
| HS Code | 29333990 |
| Hazard Class | IRRITANT |
2196-13-6 - Reference Information
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| Uses | Thio-isoniotinamide can be used as an intermediate in pharmaceutical synthesis, such as 2-ethylthio-isoniotinamide. |
| preparation method | synthesis of thioisoniotinamide: 294g of 20% ammonium sulfide aqueous solution is put into a four-neck bottle, 4.2g of sulfur is added under stirring, heated and stirred until completely dissolved, 45g of 4-cyanopyridine is added, heated to 40 ℃, and kept warm for 4 hours; After the reaction is over, the temperature is reduced to 25 ℃, filtration, the filter cake was washed with distilled water at 70 ℃ until neutral to obtain thionicotinamide and dried to obtain 47.3g. |
| Biological activity | Thioisonicotinamide (Pyridine-4-carbothioamide, Isothionicotinamide, 4-Pyridylthiocarboxamide) is a synthetic intermediate product used in drug synthesis. |
Last Update：2024-04-09 21:32:02
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