O-Isobutyl methylphosphonothiolate
TL;DR: O-Isobutyl methylphosphonothiolate (CAS 20626-99-7) is a chemical compound with molecular formula C5H13O2PS and molecular weight 168.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hydroxy-methyl-(2-methylpropoxy)-sulfanylidene-λ5-phosphane
Also Known As: O-Isobutyl methylphosphonothiolate, methyl-phosphonothioic acid O-isobutyl ester, 2-methylpropyl methyl(sulfanyl)phosphinate, o-Isobutyl hydrogen methylphosphonothioate #, O-Isobutyl O-hydrogen methylphosphonothioate
| Molecular Formula | C5H13O2PS |
|---|---|
| Molecular Weight | 168.04 g/mol |
| LogP | 1.5906 |
| Topological Polar Surface Area | 29.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 168.03738 |
| Heavy Atoms | 9 |
| Complexity | 118.1264 |
Chemical Identifiers
| CAS Number | 20626-99-7 |
|---|---|
| SMILES | CC(C)COP(=S)(C)O |
Product Overview
O-Isobutyl methylphosphonothiolate (CAS 20626-99-7), with molecular formula C5H13O2PS and molecular weight 168.04 g/mol. IUPAC: hydroxy-methyl-(2-methylpropoxy)-sulfanylidene-λ5-phosphane.
Chemical Property Profile of O-Isobutyl methylphosphonothiolate
Property Insights of O-Isobutyl methylphosphonothiolate
The XLogP value of 1.5906 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-Isobutyl methylphosphonothiolate. With a topological polar surface area (TPSA) of 29.46 Ų, O-Isobutyl methylphosphonothiolate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-Isobutyl methylphosphonothiolate has 1 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 O-Isobutyl methylphosphonothiolate?
The CAS number of O-Isobutyl methylphosphonothiolate is 20626-99-7.
What is the molecular formula of O-Isobutyl methylphosphonothiolate?
The molecular formula of O-Isobutyl methylphosphonothiolate is C5H13O2PS.
What is the molecular weight of O-Isobutyl methylphosphonothiolate?
The molecular weight of O-Isobutyl methylphosphonothiolate is 168.04 g/mol.
Where can I buy O-Isobutyl methylphosphonothiolate?
You can request a quote for O-Isobutyl methylphosphonothiolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Isobutyl methylphosphonothiolate?
Yes, KEHONG BIO provides custom synthesis services for O-Isobutyl methylphosphonothiolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.