O,O,O-Trimethyl O-(4-nitrophenyl) thiodiphosphate
TL;DR: O,O,O-Trimethyl O-(4-nitrophenyl) thiodiphosphate (CAS 63980-97-2) is a chemical compound with molecular formula C9H13NO8P2S and molecular weight 356.9837 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[dimethoxyphosphorylsulfanyl(methoxy)phosphoryl]oxy-4-nitrobenzene
Also Known As: Shell SD-7053, O,O,O-Trimethyl O-(4-nitrophenyl) thiodiphosphate, ENT 25,740, Thiodiphosphoric acid((HO)2PO) 2S, O,O,O-trimethyl O-(nitrophenyl) ester, 1-[dimethoxyphosphorylsulfanyl(methoxy)phosphoryl]oxy-4-nitrobenzene
Technical Specifications
| Molecular Formula | C9H13NO8P2S |
| Molecular Weight | 356.9837 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 142.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 356.9837 Da |
| Heavy Atoms | 21 |
| Complexity | 440.0 |
| SMILES | COP(=O)(OC)SP(=O)(OC)OC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | YPXVCFLCSXAIFK-UHFFFAOYSA-N |
Chemical Property Profile of O,O,O-Trimethyl O-(4-nitrophenyl) thiodiphosphate
Property Insights of O,O,O-Trimethyl O-(4-nitrophenyl) thiodiphosphate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O,O,O-Trimethyl O-(4-nitrophenyl) thiodiphosphate. The TPSA of 142.0 Ų indicates high polarity, suggesting O,O,O-Trimethyl O-(4-nitrophenyl) thiodiphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, O,O,O-Trimethyl O-(4-nitrophenyl) thiodiphosphate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of O,O,O-Trimethyl O-(4-nitrophenyl) thiodiphosphate?
The CAS number of O,O,O-Trimethyl O-(4-nitrophenyl) thiodiphosphate is 63980-97-2.
What is the molecular formula of O,O,O-Trimethyl O-(4-nitrophenyl) thiodiphosphate?
The molecular formula of O,O,O-Trimethyl O-(4-nitrophenyl) thiodiphosphate is C9H13NO8P2S.
What is the molecular weight of O,O,O-Trimethyl O-(4-nitrophenyl) thiodiphosphate?
The molecular weight of O,O,O-Trimethyl O-(4-nitrophenyl) thiodiphosphate is 356.9837 g/mol.
Where can I buy O,O,O-Trimethyl O-(4-nitrophenyl) thiodiphosphate?
You can request a quote for O,O,O-Trimethyl O-(4-nitrophenyl) thiodiphosphate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for O,O,O-Trimethyl O-(4-nitrophenyl) thiodiphosphate?
Yes, CoreyChem provides custom synthesis services for O,O,O-Trimethyl O-(4-nitrophenyl) thiodiphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.