O,O-Dimethyl P-methylphosphonothioate
TL;DR: O,O-Dimethyl P-methylphosphonothioate (CAS 681-06-1) is a chemical compound with molecular formula C3H9O2PS and molecular weight 140.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethoxy-methyl-sulfanylidene-λ5-phosphane
Also Known As: O,O-Dimethyl methylphosphonothioate, Dimethyl methylphosphonothionate, dimethoxy-methyl-sulfanylidene-, Phosphonothioic acid, methyl-, O,O-dimethyl ester, methyldi(methoxy)phosphine sulphide
| Molecular Formula | C3H9O2PS |
|---|---|
| Molecular Weight | 140.01 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 140.00609 |
| Heavy Atoms | 7 |
| Complexity | 84.0 |
Chemical Identifiers
| CAS Number | 681-06-1 |
|---|---|
| SMILES | COP(=S)(C)OC |
| InChIKey | BHFOAIMSKFAWOU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
O,O-Dimethyl P-methylphosphonothioate (CAS 681-06-1), with molecular formula C3H9O2PS and molecular weight 140.01 g/mol. IUPAC: dimethoxy-methyl-sulfanylidene-λ5-phosphane.
Chemical Property Profile of O,O-Dimethyl P-methylphosphonothioate
Property Insights of O,O-Dimethyl P-methylphosphonothioate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O,O-Dimethyl P-methylphosphonothioate. With a topological polar surface area (TPSA) of 50.6 Ų, O,O-Dimethyl P-methylphosphonothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O,O-Dimethyl P-methylphosphonothioate 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,O-Dimethyl P-methylphosphonothioate?
The CAS number of O,O-Dimethyl P-methylphosphonothioate is 681-06-1.
What is the molecular formula of O,O-Dimethyl P-methylphosphonothioate?
The molecular formula of O,O-Dimethyl P-methylphosphonothioate is C3H9O2PS.
What is the molecular weight of O,O-Dimethyl P-methylphosphonothioate?
The molecular weight of O,O-Dimethyl P-methylphosphonothioate is 140.01 g/mol.
Where can I buy O,O-Dimethyl P-methylphosphonothioate?
You can request a quote for O,O-Dimethyl P-methylphosphonothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O,O-Dimethyl P-methylphosphonothioate?
Yes, KEHONG BIO provides custom synthesis services for O,O-Dimethyl P-methylphosphonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.