88768-45-0
| Name | (2-PYRIMIDYLTHIO)ACETIC ACID |
| CAS | 88768-45-0 |
| EINECS(EC#) | 289-445-1 |
| Molecular Formula | C6H6N2O2S |
| MDL Number | MFCD00010287 |
| Molecular Weight | 170.19 |
| MOL File | 88768-45-0.mol |
Chemical Properties
| Appearance | beige to light brown powder |
| Melting point | 204 °C (dec.) (lit.) |
| Boiling point | 356.1±25.0 °C(Predicted) |
| density | 1.382 (estimate) |
| refractive index | 1.6490 (estimate) |
| form | Powder |
| pka | 3.16±0.10(Predicted) |
| color | Beige to light brown |
| BRN | 136468 |
| InChI | 1S/C6H6N2O2S/c9-5(10)4-11-6-7-2-1-3-8-6/h1-3H,4H2,(H,9,10) |
| InChIKey | NIEOYUNNKKAQKI-UHFFFAOYSA-N |
| SMILES | OC(=O)CSc1ncccn1 |
| LogP | 0.648 (est) |
| CAS DataBase Reference | 88768-45-0(CAS DataBase Reference) |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| HS Code | 29335995 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |