Phosphonothioic acid, ((2-nitrophenyl)methyl)-, O,O-dimethyl ester
TL;DR: Phosphonothioic acid, ((2-nitrophenyl)methyl)-, O,O-dimethyl ester (CAS 105100-23-0) is a chemical compound with molecular formula C9H12NO4PS and molecular weight 261.02246 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethoxy-[(2-nitrophenyl)methyl]-sulfanylidene-λ5-phosphane
Also Known As: O,O-Dimethyl (2-nitrobenzyl)thiophosphonate, o,o-Dimethyl 2-nitrobenzylphosphonothioate, O,O-Dimethyl 2-nitrobenzylphosphonothioate #, dimethoxy-[(2-nitrophenyl)methyl]-sulfanylidene-, O,O-Dimethyl [(2-nitrophenyl)methyl]phosphonothioate
Technical Specifications
| Molecular Formula | C9H12NO4PS |
| Molecular Weight | 261.02246 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 96.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.02246 Da |
| Heavy Atoms | 16 |
| Complexity | 286.0 |
| SMILES | COP(=S)(CC1=CC=CC=C1[N+](=O)[O-])OC |
| InChIKey | RPWLOOHXLWWOFR-UHFFFAOYSA-N |
Chemical Property Profile of Phosphonothioic acid, ((2-nitrophenyl)methyl)-, O,O-dimethyl ester
Property Insights of Phosphonothioic acid, ((2-nitrophenyl)methyl)-, O,O-dimethyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphonothioic acid, ((2-nitrophenyl)methyl)-, O,O-dimethyl ester. The TPSA of 96.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphonothioic acid, ((2-nitrophenyl)methyl)-, O,O-dimethyl ester. Following Lipinski's Rule of Five, Phosphonothioic acid, ((2-nitrophenyl)methyl)-, O,O-dimethyl ester has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Phosphonothioic acid, ((2-nitrophenyl)methyl)-, O,O-dimethyl ester?
The CAS number of Phosphonothioic acid, ((2-nitrophenyl)methyl)-, O,O-dimethyl ester is 105100-23-0.
What is the molecular formula of Phosphonothioic acid, ((2-nitrophenyl)methyl)-, O,O-dimethyl ester?
The molecular formula of Phosphonothioic acid, ((2-nitrophenyl)methyl)-, O,O-dimethyl ester is C9H12NO4PS.
What is the molecular weight of Phosphonothioic acid, ((2-nitrophenyl)methyl)-, O,O-dimethyl ester?
The molecular weight of Phosphonothioic acid, ((2-nitrophenyl)methyl)-, O,O-dimethyl ester is 261.02246 g/mol.
Where can I buy Phosphonothioic acid, ((2-nitrophenyl)methyl)-, O,O-dimethyl ester?
You can request a quote for Phosphonothioic acid, ((2-nitrophenyl)methyl)-, O,O-dimethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phosphonothioic acid, ((2-nitrophenyl)methyl)-, O,O-dimethyl ester?
Yes, CoreyChem provides custom synthesis services for Phosphonothioic acid, ((2-nitrophenyl)methyl)-, O,O-dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.