Bis(dinitropropyl)thiocarbonate
bis(2,2-dinitropropoxy)methanethione
Also Known As: Bis(dinitropropyl)thiocarbonate|bis(2,2-dinitropropoxy)methanethione|Bis(2,2-dinitropropyl) Thionocarbonate|NCI60_027658|O,O-Bis(2,2-bis(hydroxy(oxido)amino)propyl) thiocarbonate
CAS: 80445-01-8
| Molecular Formula | C7H10N4O10S |
|---|---|
| Molecular Weight | 342.01175 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 234.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 342.01175 |
| Monoisotopic Mass | 342.01175 |
| Heavy Atoms | 22 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 80445-01-8 |
|---|---|
| SMILES | CC(COC(=S)OCC(C)([N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | LQWOYVONCHRVBI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Organic Building Blocks (6 patents)
Polymer Intermediates (2 patents)
Product Overview
Bis(dinitropropyl)thiocarbonate (CAS 80445-01-8), with molecular formula C7H10N4O10S and molecular weight 342.01175 g/mol. IUPAC: bis(2,2-dinitropropoxy)methanethione.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
Bis(dinitropropyl)thiocarbonate is a custom synthesis product. We offer services from milligram to kilogram scale.
Request a Quote »