Phosphinothioic acid, dimethyl-, O-(4-nitro-m-tolyl) ester
TL;DR: Phosphinothioic acid, dimethyl-, O-(4-nitro-m-tolyl) ester (CAS 1081-16-9) is a chemical compound with molecular formula C9H12NO3PS and molecular weight 245.02756 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl-(3-methyl-4-nitrophenoxy)-sulfanylidene-λ5-phosphane
Also Known As: O-(3-Methyl-4-nitrophenyl) dimethylphosphinothioate, Phosphinothioic acid, dimethyl-, O-(4-nitro-m-tolyl) ester, dimethyl-(3-methyl-4-nitrophenoxy)-sulfanylidene-, BRN 2121351
Technical Specifications
| Molecular Formula | C9H12NO3PS |
| Molecular Weight | 245.02756 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 87.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.02756 Da |
| Heavy Atoms | 15 |
| Complexity | 286.0 |
| SMILES | CC1=C(C=CC(=C1)OP(=S)(C)C)[N+](=O)[O-] |
| InChIKey | MHRYQUKHWOXDFI-UHFFFAOYSA-N |
Chemical Property Profile of Phosphinothioic acid, dimethyl-, O-(4-nitro-m-tolyl) ester
Property Insights of Phosphinothioic acid, dimethyl-, O-(4-nitro-m-tolyl) ester
The XLogP value of 3.2 indicates that Phosphinothioic acid, dimethyl-, O-(4-nitro-m-tolyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphinothioic acid, dimethyl-, O-(4-nitro-m-tolyl) ester. Following Lipinski's Rule of Five, Phosphinothioic acid, dimethyl-, O-(4-nitro-m-tolyl) ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Phosphinothioic acid, dimethyl-, O-(4-nitro-m-tolyl) ester?
The CAS number of Phosphinothioic acid, dimethyl-, O-(4-nitro-m-tolyl) ester is 1081-16-9.
What is the molecular formula of Phosphinothioic acid, dimethyl-, O-(4-nitro-m-tolyl) ester?
The molecular formula of Phosphinothioic acid, dimethyl-, O-(4-nitro-m-tolyl) ester is C9H12NO3PS.
What is the molecular weight of Phosphinothioic acid, dimethyl-, O-(4-nitro-m-tolyl) ester?
The molecular weight of Phosphinothioic acid, dimethyl-, O-(4-nitro-m-tolyl) ester is 245.02756 g/mol.
Where can I buy Phosphinothioic acid, dimethyl-, O-(4-nitro-m-tolyl) ester?
You can request a quote for Phosphinothioic acid, dimethyl-, O-(4-nitro-m-tolyl) ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phosphinothioic acid, dimethyl-, O-(4-nitro-m-tolyl) ester?
Yes, CoreyChem provides custom synthesis services for Phosphinothioic acid, dimethyl-, O-(4-nitro-m-tolyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.