Phosphorothioic acid, O-methyl ester
TL;DR: Phosphorothioic acid, O-methyl ester (CAS 1111-99-5) is a chemical compound with molecular formula CH5O3PS and molecular weight 127.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dihydroxy-methoxy-sulfanylidene-λ5-phosphane
Also Known As: O-Methyl phosphorothioate, methylthiophosphoric acid, Phosphorothioic acid, O-methyl ester, dihydroxy-methoxy-sulfanylidene-, methoxy(sulfanyl)phosphinic acid
| Molecular Formula | CH5O3PS |
|---|---|
| Molecular Weight | 127.97 g/mol |
| LogP | -0.1581 |
| Topological Polar Surface Area | 49.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 127.9697 |
| Heavy Atoms | 6 |
| Complexity | 74.86238 |
Chemical Identifiers
| CAS Number | 1111-99-5 |
|---|---|
| SMILES | COP(=S)(O)O |
Product Overview
Phosphorothioic acid, O-methyl ester (CAS 1111-99-5), with molecular formula CH5O3PS and molecular weight 127.97 g/mol. IUPAC: dihydroxy-methoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorothioic acid, O-methyl ester
Property Insights of Phosphorothioic acid, O-methyl ester
The XLogP value of -0.1581 indicates that Phosphorothioic acid, O-methyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 49.69 Ų, Phosphorothioic acid, O-methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphorothioic acid, O-methyl ester has 2 hydrogen bond donor(s) and 2 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-methyl ester?
The CAS number of Phosphorothioic acid, O-methyl ester is 1111-99-5.
What is the molecular formula of Phosphorothioic acid, O-methyl ester?
The molecular formula of Phosphorothioic acid, O-methyl ester is CH5O3PS.
What is the molecular weight of Phosphorothioic acid, O-methyl ester?
The molecular weight of Phosphorothioic acid, O-methyl ester is 127.97 g/mol.
Where can I buy Phosphorothioic acid, O-methyl ester?
You can request a quote for Phosphorothioic acid, O-methyl 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-methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O-methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.