![N-Cyano-N-[2-(5-methylimidazole-4-methylthio)ethyl]-S-methyl isothiourea Structure](https://www.chemicalbook.com/CAS/GIF/52378-40-2.gif)
N-Cyano-N-[2-(5-methylimidazole-4-methylthio)ethyl]-S-methyl isothiourea
- Product NameN-Cyano-N-[2-(5-methylimidazole-4-methylthio)ethyl]-S-methyl isothiourea
- CAS52378-40-2
- CBNumberCB3875377
- MFC10H15N5S2
- MW269.39
- EINECS257-889-5
- MDL NumberMFCD09751289
- MOL File52378-40-2.mol
Chemical Properties
| Melting point | 148-150℃ |
| Boiling point | 501.5±60.0 °C(Predicted) |
| Density | 1.29±0.1 g/cm3(Predicted) |
| storage temp. | Amber Vial, -20°C Freezer, Under inert atmosphere |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 14.11±0.10(Predicted) |
| color | Yellow |
| Stability | Light Sensitive |
| Major Application | pharmaceutical |
| InChI | 1S/C10H15N5S2/c1-8-9(15-7-14-8)5-17-4-3-12-10(16-2)13-6-11/h7H,3-5H2,1-2H3,(H,12,13)(H,14,15) |
| InChIKey | WSUNDBVVUCLXTG-UHFFFAOYSA-N |
| SMILES | S(CCN=C(SC)NC#N)Cc1[nH]cnc1C |
| UNSPSC Code | 41116107 |
| NACRES | NA.24 |
Safety
| Symbol(GHS) |
 
|
| Signal word | Warning |
| Hazard statements | H334-H302+H312+H332-H317 |
| Precautionary statements | P261-P285-P304+P341-P342+P311-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501 |
| WGK Germany | WGK 3 |
| Storage Class | 11 - Combustible Solids |
