2-Mercapto-4(3H)-quinazolinone
- Product Name2-Mercapto-4(3H)-quinazolinone
- CAS13906-09-7
- MFC8H6N2OS
- MW178.21
- EINECS237-676-3
- MOL File13906-09-7.mol
Chemical Properties
| Melting point | >300 °C (lit.) |
| Density | 1.46±0.1 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| form | powder to crystal |
| pka | 9.49±0.20(Predicted) |
| color | White to Almost white |
| InChI | 1S/C8H6N2OS/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12) |
| InChIKey | PUPFOFVEHDNUJU-UHFFFAOYSA-N |
| SMILES | SC1=Nc2ccccc2C(=O)N1 |
| CAS DataBase Reference | 13906-09-7(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-37/39 |
| WGK Germany | 3 |
| HS Code | 2934.99.4400 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
