HuagongsheHuagongshe Chemistry Print Report · For research reference only
Urea, 3-(m-dithian-5-yl)-1-(2-fluoroethyl)-1-nitroso-, S,S,S',S'-tetraoxide
5-[3-(2-Fluoroethyl)-3-nitrosoureido]-1,3-dithiane 1,1,3,3-tetraoxide
Identifiers & Physical Properties
| CAS No. | 33024-48-5 |
|---|---|
| Molecular formula | C7H12FN3O6S2 |
| Average molar mass | 317.3 g/mol |
| Monoisotopic mass | 317.01515562 g/mol |
| SMILES | O=NN(CCF)C(=O)NC1CS(=O)(=O)CS(=O)(=O)C1 |
| InChIKey | HWTNAOPQOYUMFC-UHFFFAOYSA-N |
| PubChem CID | 97613 |
| ChEMBL | CHEMBL274411 |
| DTXSID | DTXSID00186691 |
Chemical & Physical Properties
| XLogP | -1.2 |
|---|---|
| Topological polar surface area | 147 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 8 |
| Rotatable bonds | 3 |
| Heavy atoms | 19 |
| Formal charge | 0 |
| Complexity | 514 |