3-S-Isothiuronium propyl sulfonate
- Product Name3-S-Isothiuronium propyl sulfonate
- CAS21668-81-5
- MFC4H10N2O3S2
- MW198.26
- EINECS244-520-8
- MOL File21668-81-5.mol
Chemical Properties
| Melting point | 240 °C |
| Boiling point | 276.6℃ at 101.325kPa |
| Density | 1.61±0.1 g/cm3(Predicted) |
| storage temp. | Keep in dark place,Inert atmosphere,Room temperature |
| solubility | water: soluble25mg/mL, clear, colorless |
| form | Solid:particulate/powder |
| pka | 1.54±0.50(Predicted) |
| color | White to Almost white |
| biological source | human |
| InChI | InChI=1S/C4H10N2O3S2/c5-4(6)10-2-1-3-11(7,8)9/h1-3H2,(H3,5,6)(H,7,8,9) |
| InChIKey | MQLJIOAPXLAGAP-UHFFFAOYSA-N |
| SMILES | C(S(O)(=O)=O)CCSC(N)=N |
| LogP | -2 |
| Surface tension | 72.9mN/m at 1g/L and 20.2℃ |
| CAS DataBase Reference | 21668-81-5(CAS DataBase Reference) |
| EPA Substance Registry System | 1-Propanesulfonic acid, 3-[(aminoiminomethyl)thio]- (21668-81-5) |
Safety Information
| Hazard Codes | C,Xn |
| Risk Statements | 34-42-36/37/38 |
| Safety Statements | 26-36/37/39-45-36/37-24-22 |
| RIDADR | UN 3261 8/PG 2 |
| WGK Germany | 3 |
| TSCA | TSCA listed |
| HazardClass | 8 |
| PackingGroup | III |
| HS Code | 29309090 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Eye Dam. 1 Repr. 1B Resp. Sens. 1 Skin Irrit. 2 STOT SE 3 |