Phosphorothioic acid, S-2-chloroethyl O,O-diethyl ester
TL;DR: Phosphorothioic acid, S-2-chloroethyl O,O-diethyl ester (CAS 6301-04-8) is a chemical compound with molecular formula C6H14ClO3PS and molecular weight 232.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-2-diethoxyphosphorylsulfanylethane
Also Known As: S-2-Chloroethyl O,O-diethylphosphorothioate, 1-chloro-2-diethoxyphosphorylsulfanylethane, Phosphorothioic acid, S-2-chloroethyl O,O-diethyl ester, Fosforan S-(beta-chloroetylo)-O,O-dwuetylowy, s-(2-chloroethyl) o,o-diethylphosphorothioate
| Molecular Formula | C6H14ClO3PS |
|---|---|
| Molecular Weight | 232.01 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 60.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 232.00899 |
| Heavy Atoms | 12 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 6301-04-8 |
|---|---|
| SMILES | CCOP(=O)(OCC)SCCCl |
| InChIKey | BDELQCAZJMDRFX-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, S-2-chloroethyl O,O-diethyl ester (CAS 6301-04-8), with molecular formula C6H14ClO3PS and molecular weight 232.01 g/mol. IUPAC: 1-chloro-2-diethoxyphosphorylsulfanylethane.
Chemical Property Profile of Phosphorothioic acid, S-2-chloroethyl O,O-diethyl ester
Property Insights of Phosphorothioic acid, S-2-chloroethyl O,O-diethyl ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorothioic acid, S-2-chloroethyl O,O-diethyl ester. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, S-2-chloroethyl O,O-diethyl ester. Following Lipinski's Rule of Five, Phosphorothioic acid, S-2-chloroethyl O,O-diethyl ester has 0 hydrogen bond donor(s) and 4 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 Phosphorothioic acid, S-2-chloroethyl O,O-diethyl ester?
The CAS number of Phosphorothioic acid, S-2-chloroethyl O,O-diethyl ester is 6301-04-8.
What is the molecular formula of Phosphorothioic acid, S-2-chloroethyl O,O-diethyl ester?
The molecular formula of Phosphorothioic acid, S-2-chloroethyl O,O-diethyl ester is C6H14ClO3PS.
What is the molecular weight of Phosphorothioic acid, S-2-chloroethyl O,O-diethyl ester?
The molecular weight of Phosphorothioic acid, S-2-chloroethyl O,O-diethyl ester is 232.01 g/mol.
Where can I buy Phosphorothioic acid, S-2-chloroethyl O,O-diethyl ester?
You can request a quote for Phosphorothioic acid, S-2-chloroethyl O,O-diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphorothioic acid, S-2-chloroethyl O,O-diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, S-2-chloroethyl O,O-diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.