3-Isothioureidopropionic acid
- Product Name3-Isothioureidopropionic acid
- CAS5398-29-8
- MFC4H8N2O2S
- MW148.18
- EINECS226-430-0
- MOL File5398-29-8.mol
Chemical Properties
| Melting point | 183-184 °C |
| Boiling point | 323.4±44.0 °C(Predicted) |
| Density | 1.49±0.1 g/cm3(Predicted) |
| vapor pressure | 0.0±1.5 mmHg at 25°C |
| refractive index | 1.607 |
| Flash point | 149.4±28.4 °C |
| storage temp. | Sealed in dry, Room Temperature |
| pka | 3.98±0.10(Predicted) |
| form | Powder |
| color | White |
| Water Solubility | 12.01g/L at 20℃ |
| InChI | InChI=1S/C4H8N2O2S/c5-4(6)9-2-1-3(7)8/h1-2H2,(H3,5,6)(H,7,8) |
| InChIKey | ICCLGNPZARKJKF-UHFFFAOYSA-N |
| SMILES | C(O)(=O)CCSC(N)=N |
| LogP | -2.16 at 24℃ |
| EPA Substance Registry System | 3-(Aminoiminomethyl)thiopropanoic acid (5398-29-8) |
