O-Butyl hydrogen methylphosphonothioate
TL;DR: O-Butyl hydrogen methylphosphonothioate (CAS 18005-42-0) 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.
butoxy-hydroxy-methyl-sulfanylidene-λ5-phosphane
Also Known As: O-butylmethylthiophosphonic acid, O-Butyl hydrogen methylphosphonothioate, butoxy-hydroxy-methyl-sulfanylidene-, O-Butyl O-hydrogen methylphosphonothioate, butoxy-hydroxy-methyl-sulfanylidene-lambda5-phosphane
| Molecular Formula | C5H13O2PS |
|---|---|
| Molecular Weight | 168.04 g/mol |
| LogP | 1.7347 |
| Topological Polar Surface Area | 29.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 168.03738 |
| Heavy Atoms | 9 |
| Complexity | 109.52562 |
Chemical Identifiers
| CAS Number | 18005-42-0 |
|---|---|
| SMILES | CCCCOP(=S)(C)O |
Product Overview
O-Butyl hydrogen methylphosphonothioate (CAS 18005-42-0), with molecular formula C5H13O2PS and molecular weight 168.04 g/mol. IUPAC: butoxy-hydroxy-methyl-sulfanylidene-λ5-phosphane.
Chemical Property Profile of O-Butyl hydrogen methylphosphonothioate
Property Insights of O-Butyl hydrogen methylphosphonothioate
The XLogP value of 1.7347 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-Butyl hydrogen methylphosphonothioate. With a topological polar surface area (TPSA) of 29.46 Ų, O-Butyl hydrogen methylphosphonothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-Butyl hydrogen methylphosphonothioate 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-Butyl hydrogen methylphosphonothioate?
The CAS number of O-Butyl hydrogen methylphosphonothioate is 18005-42-0.
What is the molecular formula of O-Butyl hydrogen methylphosphonothioate?
The molecular formula of O-Butyl hydrogen methylphosphonothioate is C5H13O2PS.
What is the molecular weight of O-Butyl hydrogen methylphosphonothioate?
The molecular weight of O-Butyl hydrogen methylphosphonothioate is 168.04 g/mol.
Where can I buy O-Butyl hydrogen methylphosphonothioate?
You can request a quote for O-Butyl 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-Butyl hydrogen methylphosphonothioate?
Yes, KEHONG BIO provides custom synthesis services for O-Butyl hydrogen methylphosphonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.