O-Propan-2-yl hydrogen methylphosphonothioate
TL;DR: O-Propan-2-yl hydrogen methylphosphonothioate (CAS 36585-72-5) is a chemical compound with molecular formula C4H11O2PS and molecular weight 154.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hydroxy-methyl-propan-2-yloxy-sulfanylidene-λ5-phosphane
Also Known As: O-Propan-2-yl hydrogen methylphosphonothioate, O-isopropyl hydrogen methylphosphonothioate, (-)(s)-O-isopropylmethylthiophosphonic acid, hydroxy-methyl-propan-2-yloxy-sulfanylidene-, (-)-O-Isopropyl-methyl-phosphono-thionsaeure
| Molecular Formula | C4H11O2PS |
|---|---|
| Molecular Weight | 154.02 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 154.02174 |
| Heavy Atoms | 8 |
| Complexity | 113.0 |
Chemical Identifiers
| CAS Number | 36585-72-5 |
|---|---|
| SMILES | CC(C)OP(=S)(C)O |
| InChIKey | TZSUOJCDZRXDNO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
O-Propan-2-yl hydrogen methylphosphonothioate (CAS 36585-72-5), with molecular formula C4H11O2PS and molecular weight 154.02 g/mol. IUPAC: hydroxy-methyl-propan-2-yloxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of O-Propan-2-yl hydrogen methylphosphonothioate
Property Insights of O-Propan-2-yl hydrogen methylphosphonothioate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-Propan-2-yl hydrogen methylphosphonothioate. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for O-Propan-2-yl hydrogen methylphosphonothioate. Following Lipinski's Rule of Five, O-Propan-2-yl hydrogen methylphosphonothioate has 1 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-Propan-2-yl hydrogen methylphosphonothioate?
The CAS number of O-Propan-2-yl hydrogen methylphosphonothioate is 36585-72-5.
What is the molecular formula of O-Propan-2-yl hydrogen methylphosphonothioate?
The molecular formula of O-Propan-2-yl hydrogen methylphosphonothioate is C4H11O2PS.
What is the molecular weight of O-Propan-2-yl hydrogen methylphosphonothioate?
The molecular weight of O-Propan-2-yl hydrogen methylphosphonothioate is 154.02 g/mol.
Where can I buy O-Propan-2-yl hydrogen methylphosphonothioate?
You can request a quote for O-Propan-2-yl hydrogen methylphosphonothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Propan-2-yl hydrogen methylphosphonothioate?
Yes, KEHONG BIO provides custom synthesis services for O-Propan-2-yl hydrogen methylphosphonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.