Phosphorothioic acid, O,O-dimethyl O-p-tolyl ester
TL;DR: Phosphorothioic acid, O,O-dimethyl O-p-tolyl ester (CAS 4901-37-5) is a chemical compound with molecular formula C9H13O3PS and molecular weight 232.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethoxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane
Also Known As: O,O-Dimethyl O-p-tolyl phosphorothioate, Phosphorothioic acid, O,O-dimethyl O-p-tolyl ester, dimethoxy-(4-methylphenoxy)-sulfanylidene-, O,O-dimethyl O-4-methylphenyl phosphorothioate, O,O-Dimethyl O-(4-methylphenyl) phosphorothioate
| Molecular Formula | C9H13O3PS |
|---|---|
| Molecular Weight | 232.03 g/mol |
| LogP | 2.89112 |
| Topological Polar Surface Area | 27.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 232.0323 |
| Heavy Atoms | 14 |
| Complexity | 328.41522 |
Chemical Identifiers
| CAS Number | 4901-37-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OP(=S)(OC)OC |
Product Overview
Phosphorothioic acid, O,O-dimethyl O-p-tolyl ester (CAS 4901-37-5), with molecular formula C9H13O3PS and molecular weight 232.03 g/mol. IUPAC: dimethoxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorothioic acid, O,O-dimethyl O-p-tolyl ester
Property Insights of Phosphorothioic acid, O,O-dimethyl O-p-tolyl ester
The XLogP value of 2.89112 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorothioic acid, O,O-dimethyl O-p-tolyl ester. With a topological polar surface area (TPSA) of 27.69 Ų, Phosphorothioic acid, O,O-dimethyl O-p-tolyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphorothioic acid, O,O-dimethyl O-p-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
Frequently Asked Questions
What is the CAS number of Phosphorothioic acid, O,O-dimethyl O-p-tolyl ester?
The CAS number of Phosphorothioic acid, O,O-dimethyl O-p-tolyl ester is 4901-37-5.
What is the molecular formula of Phosphorothioic acid, O,O-dimethyl O-p-tolyl ester?
The molecular formula of Phosphorothioic acid, O,O-dimethyl O-p-tolyl ester is C9H13O3PS.
What is the molecular weight of Phosphorothioic acid, O,O-dimethyl O-p-tolyl ester?
The molecular weight of Phosphorothioic acid, O,O-dimethyl O-p-tolyl ester is 232.03 g/mol.
Where can I buy Phosphorothioic acid, O,O-dimethyl O-p-tolyl ester?
You can request a quote for Phosphorothioic acid, O,O-dimethyl O-p-tolyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphorothioic acid, O,O-dimethyl O-p-tolyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O,O-dimethyl O-p-tolyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.