3-(2-Guanidino-thiazol-4-yl-methylthio)-propionitrile
- Product Name3-(2-Guanidino-thiazol-4-yl-methylthio)-propionitrile
- CAS76823-93-3
- CBNumberCB4251891
- MFC8H11N5S2
- MW241.34
- EINECS403-710-2
- MDL NumberMFCD07369306
- MOL File76823-93-3.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 128-132 °C(lit.) |
| Boiling point | 459.7±55.0 °C(Predicted) |
| Density | 1.49±0.1 g/cm3(Predicted) |
| storage temp. | -20°C Freezer |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 8.51±0.70(Predicted) |
| color | White to Beige |
| InChI | 1S/C8H11N5S2/c9-2-1-3-14-4-6-5-15-8(12-6)13-7(10)11/h5H,1,3-4H2,(H4,10,11,12,13) |
| InChIKey | FSKYYRZENXOYAP-UHFFFAOYSA-N |
| SMILES | N\C(N)=N\c1nc(CSCCC#N)cs1 |
| CAS DataBase Reference | 76823-93-3(CAS DataBase Reference) |
| EWG's Food Scores | 1-2 |
| FDA UNII | Q26WGP9NWR |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
Safety
| Symbol(GHS) |
|
| Signal word | Warning |
| Hazard statements | H302-H317 |
| Precautionary statements | P280-P301+P312+P330-P302+P352 |
| Hazard Codes | Xn |
| Risk Statements | 22-43 |
| Safety Statements | 22-24-37 |
| WGK Germany | 1 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Skin Sens. 1 |
