21668-81-5
| Name | 3-S-Isothiuronium propyl sulfonate |
| CAS | 21668-81-5 |
| EINECS(EC#) | 244-520-8 |
| Molecular Formula | C4H10N2O3S2 |
| MDL Number | MFCD00085942 |
| Molecular Weight | 198.26 |
| MOL File | 21668-81-5.mol |
Chemical Properties
| Appearance | White crystalline powder |
| 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 | 21668-81-5(EPA Substance) |
Safety Data
| Symbol(GHS) |  GHS05 |
| Signal word | Danger |
| Hazard statements | H314 |
| Precautionary statements | P280-P305+P351+P338-P310 |
| Hazard Codes | C |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 3261 8/PG 2 |
| WGK Germany | 3 |
| TSCA | TSCA listed |
| REACH Registrations | Active |
| 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 |