Phenyl phosphonothioate
TL;DR: Phenyl phosphonothioate (CAS 25331-57-1) is a chemical compound with molecular formula C6H7O2PS and molecular weight 173.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dihydroxy-phenyl-sulfanylidene-λ5-phosphane
Also Known As: Phenyl phosphonothioate, phenylphosphonothioic acid, phenylthiophosphonic acid, Phosphonothioic acid, phenyl-, P-Phenylphosphonothioic acid
| Molecular Formula | C6H7O2PS |
|---|---|
| Molecular Weight | 173.99 g/mol |
| LogP | 0.606 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 173.99043 |
| Heavy Atoms | 10 |
| Complexity | 253.71014 |
Chemical Identifiers
| CAS Number | 25331-57-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)P(=S)(O)O |
Product Overview
Phenyl phosphonothioate (CAS 25331-57-1), with molecular formula C6H7O2PS and molecular weight 173.99 g/mol. IUPAC: dihydroxy-phenyl-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phenyl phosphonothioate
Property Insights of Phenyl phosphonothioate
The XLogP value of 0.606 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl phosphonothioate. With a topological polar surface area (TPSA) of 40.46 Ų, Phenyl phosphonothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl phosphonothioate has 2 hydrogen bond donor(s) and 1 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 Phenyl phosphonothioate?
The CAS number of Phenyl phosphonothioate is 25331-57-1.
What is the molecular formula of Phenyl phosphonothioate?
The molecular formula of Phenyl phosphonothioate is C6H7O2PS.
What is the molecular weight of Phenyl phosphonothioate?
The molecular weight of Phenyl phosphonothioate is 173.99 g/mol.
Where can I buy Phenyl phosphonothioate?
You can request a quote for Phenyl phosphonothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl phosphonothioate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl phosphonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.