O,S-Dimethyl phenylphosphonothioate
TL;DR: O,S-Dimethyl phenylphosphonothioate (CAS 77173-43-4) is a chemical compound with molecular formula C8H11O2PS and molecular weight 202.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[methoxy(methylsulfanyl)phosphoryl]benzene
Also Known As: O,S-Dimethyl phenylphosphonothioate, [methoxy(methylsulfanyl)phosphoryl]benzene, methyl (methylsulfanyl)(phenyl)phosphinate, Phosphonothioic acid, phenyl-, O,S-dimethyl ester, Phenylphosphonothioic acid O,S-dimethyl ester
| Molecular Formula | C8H11O2PS |
|---|---|
| Molecular Weight | 202.02 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 202.02174 |
| Heavy Atoms | 12 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 77173-43-4 |
|---|---|
| SMILES | COP(=O)(C1=CC=CC=C1)SC |
| InChIKey | MCOMPSJPKYWWFY-UHFFFAOYSA-N |
Product Overview
O,S-Dimethyl phenylphosphonothioate (CAS 77173-43-4), with molecular formula C8H11O2PS and molecular weight 202.02 g/mol. IUPAC: [methoxy(methylsulfanyl)phosphoryl]benzene.
Chemical Property Profile of O,S-Dimethyl phenylphosphonothioate
Property Insights of O,S-Dimethyl phenylphosphonothioate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O,S-Dimethyl phenylphosphonothioate. With a topological polar surface area (TPSA) of 51.6 Ų, O,S-Dimethyl phenylphosphonothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O,S-Dimethyl phenylphosphonothioate has 0 hydrogen bond donor(s) and 3 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 O,S-Dimethyl phenylphosphonothioate?
The CAS number of O,S-Dimethyl phenylphosphonothioate is 77173-43-4.
What is the molecular formula of O,S-Dimethyl phenylphosphonothioate?
The molecular formula of O,S-Dimethyl phenylphosphonothioate is C8H11O2PS.
What is the molecular weight of O,S-Dimethyl phenylphosphonothioate?
The molecular weight of O,S-Dimethyl phenylphosphonothioate is 202.02 g/mol.
Where can I buy O,S-Dimethyl phenylphosphonothioate?
You can request a quote for O,S-Dimethyl phenylphosphonothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O,S-Dimethyl phenylphosphonothioate?
Yes, KEHONG BIO provides custom synthesis services for O,S-Dimethyl phenylphosphonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.