Phosphonodithioic acid, chloromethyl-, S,S-diethyl ester
TL;DR: Phosphonodithioic acid, chloromethyl-, S,S-diethyl ester (CAS 34491-12-8) is a chemical compound with molecular formula C5H12ClOPS2 and molecular weight 217.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[chloromethyl(ethylsulfanyl)phosphoryl]sulfanylethane
Also Known As: Chemagro 5461, Chemagro R-5461, Bis(diethylthio)chloromethyl phosphonate, S,S-Diethyl(chloromethyl)phosphonodithioate, Phosphonodithioic acid, chloromethyl-, S,S-diethyl ester
| Molecular Formula | C5H12ClOPS2 |
|---|---|
| Molecular Weight | 217.98 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 217.97557 |
| Heavy Atoms | 10 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 34491-12-8 |
|---|---|
| SMILES | CCSP(=O)(CCl)SCC |
| InChIKey | GOKBBGQRNIGSLG-UHFFFAOYSA-N |
Product Overview
Phosphonodithioic acid, chloromethyl-, S,S-diethyl ester (CAS 34491-12-8), with molecular formula C5H12ClOPS2 and molecular weight 217.98 g/mol. IUPAC: 1-[chloromethyl(ethylsulfanyl)phosphoryl]sulfanylethane.
Chemical Property Profile of Phosphonodithioic acid, chloromethyl-, S,S-diethyl ester
Property Insights of Phosphonodithioic acid, chloromethyl-, S,S-diethyl ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphonodithioic acid, chloromethyl-, S,S-diethyl ester. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphonodithioic acid, chloromethyl-, S,S-diethyl ester. Following Lipinski's Rule of Five, Phosphonodithioic acid, chloromethyl-, S,S-diethyl ester 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 Phosphonodithioic acid, chloromethyl-, S,S-diethyl ester?
The CAS number of Phosphonodithioic acid, chloromethyl-, S,S-diethyl ester is 34491-12-8.
What is the molecular formula of Phosphonodithioic acid, chloromethyl-, S,S-diethyl ester?
The molecular formula of Phosphonodithioic acid, chloromethyl-, S,S-diethyl ester is C5H12ClOPS2.
What is the molecular weight of Phosphonodithioic acid, chloromethyl-, S,S-diethyl ester?
The molecular weight of Phosphonodithioic acid, chloromethyl-, S,S-diethyl ester is 217.98 g/mol.
Where can I buy Phosphonodithioic acid, chloromethyl-, S,S-diethyl ester?
You can request a quote for Phosphonodithioic acid, chloromethyl-, S,S-diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphonodithioic acid, chloromethyl-, S,S-diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonodithioic acid, chloromethyl-, S,S-diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.