O-Butyl methylphosphonochloridothioate
TL;DR: O-Butyl methylphosphonochloridothioate (CAS 18005-38-4) is a chemical compound with molecular formula C5H12ClOPS and molecular weight 186.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butoxy-chloro-methyl-sulfanylidene-λ5-phosphane
Also Known As: Methylphosphonochloridothioic acid O-butyl ester, O-butyl methylphosphonochloridothioate, O-n-Butyl methylphosphonochloridothioate, butyl methylphosphonothiochloridate, butoxy-chloro-methyl-sulfanylidene-
| Molecular Formula | C5H12ClOPS |
|---|---|
| Molecular Weight | 186.00 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 41.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 186.0035 |
| Heavy Atoms | 9 |
| Complexity | 118.0 |
Chemical Identifiers
| CAS Number | 18005-38-4 |
|---|---|
| SMILES | CCCCOP(=S)(C)Cl |
| InChIKey | RGAHUIUUJNOBEF-UHFFFAOYSA-N |
Product Overview
O-Butyl methylphosphonochloridothioate (CAS 18005-38-4), with molecular formula C5H12ClOPS and molecular weight 186.00 g/mol. IUPAC: butoxy-chloro-methyl-sulfanylidene-λ5-phosphane.
Chemical Property Profile of O-Butyl methylphosphonochloridothioate
Property Insights of O-Butyl methylphosphonochloridothioate
The XLogP value of 3.2 indicates that O-Butyl methylphosphonochloridothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.3 Ų, O-Butyl methylphosphonochloridothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-Butyl methylphosphonochloridothioate has 0 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 methylphosphonochloridothioate?
The CAS number of O-Butyl methylphosphonochloridothioate is 18005-38-4.
What is the molecular formula of O-Butyl methylphosphonochloridothioate?
The molecular formula of O-Butyl methylphosphonochloridothioate is C5H12ClOPS.
What is the molecular weight of O-Butyl methylphosphonochloridothioate?
The molecular weight of O-Butyl methylphosphonochloridothioate is 186.00 g/mol.
Where can I buy O-Butyl methylphosphonochloridothioate?
You can request a quote for O-Butyl methylphosphonochloridothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Butyl methylphosphonochloridothioate?
Yes, KEHONG BIO provides custom synthesis services for O-Butyl methylphosphonochloridothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.