Methylphosphonothioic acid
TL;DR: Methylphosphonothioic acid (CAS 5994-73-0) is a chemical compound with molecular formula CH5O2PS and molecular weight 111.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dihydroxy-methyl-sulfanylidene-λ5-phosphane
Also Known As: Methylphosphonothiolate, Methylphosphonothioic acid, Methanephosphonothioic acid, Methyl-phosphonothioic acid, Phosphonothioic acid, methyl-
| Molecular Formula | CH5O2PS |
|---|---|
| Molecular Weight | 111.97 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 72.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 111.974785 |
| Heavy Atoms | 5 |
| Complexity | 64.0 |
Chemical Identifiers
| CAS Number | 5994-73-0 |
|---|---|
| SMILES | CP(=S)(O)O |
| InChIKey | WXJXBKBJAKPJRN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methylphosphonothioic acid (CAS 5994-73-0), with molecular formula CH5O2PS and molecular weight 111.97 g/mol. IUPAC: dihydroxy-methyl-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Methylphosphonothioic acid
Property Insights of Methylphosphonothioic acid
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methylphosphonothioic acid. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methylphosphonothioic acid. Following Lipinski's Rule of Five, Methylphosphonothioic acid has 2 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 Methylphosphonothioic acid?
The CAS number of Methylphosphonothioic acid is 5994-73-0.
What is the molecular formula of Methylphosphonothioic acid?
The molecular formula of Methylphosphonothioic acid is CH5O2PS.
What is the molecular weight of Methylphosphonothioic acid?
The molecular weight of Methylphosphonothioic acid is 111.97 g/mol.
Where can I buy Methylphosphonothioic acid?
You can request a quote for Methylphosphonothioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylphosphonothioic acid?
Yes, KEHONG BIO provides custom synthesis services for Methylphosphonothioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.