Phosphorodithioic acid, O,S-diethyl S-isopropyl ester
TL;DR: Phosphorodithioic acid, O,S-diethyl S-isopropyl ester (CAS 77161-88-7) is a chemical compound with molecular formula C7H17O2PS2 and molecular weight 228.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[ethoxy(ethylsulfanyl)phosphoryl]sulfanylpropane
Also Known As: 2-[ethoxy(ethylsulfanyl)phosphoryl]sulfanylpropane, Phosphorodithioic acid, O,S-diethyl S-isopropyl ester, O,S-diethyl S-propan-2-yl phosphorodithioate, O,S-Diethyl S-(propan-2-yl) phosphorodithioate, 2-(ethoxy-ethylsulfanyl-phosphoryl)sulfanylpropane
| Molecular Formula | C7H17O2PS2 |
|---|---|
| Molecular Weight | 228.04 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 76.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 228.04076 |
| Heavy Atoms | 12 |
| Complexity | 161.0 |
Chemical Identifiers
| CAS Number | 77161-88-7 |
|---|---|
| SMILES | CCOP(=O)(SCC)SC(C)C |
| InChIKey | UPSZGUDMBRMQNI-UHFFFAOYSA-N |
Product Overview
Phosphorodithioic acid, O,S-diethyl S-isopropyl ester (CAS 77161-88-7), with molecular formula C7H17O2PS2 and molecular weight 228.04 g/mol. IUPAC: 2-[ethoxy(ethylsulfanyl)phosphoryl]sulfanylpropane.
Chemical Property Profile of Phosphorodithioic acid, O,S-diethyl S-isopropyl ester
Property Insights of Phosphorodithioic acid, O,S-diethyl S-isopropyl ester
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorodithioic acid, O,S-diethyl S-isopropyl ester. The TPSA of 76.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorodithioic acid, O,S-diethyl S-isopropyl ester. Following Lipinski's Rule of Five, Phosphorodithioic acid, O,S-diethyl S-isopropyl 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 Phosphorodithioic acid, O,S-diethyl S-isopropyl ester?
The CAS number of Phosphorodithioic acid, O,S-diethyl S-isopropyl ester is 77161-88-7.
What is the molecular formula of Phosphorodithioic acid, O,S-diethyl S-isopropyl ester?
The molecular formula of Phosphorodithioic acid, O,S-diethyl S-isopropyl ester is C7H17O2PS2.
What is the molecular weight of Phosphorodithioic acid, O,S-diethyl S-isopropyl ester?
The molecular weight of Phosphorodithioic acid, O,S-diethyl S-isopropyl ester is 228.04 g/mol.
Where can I buy Phosphorodithioic acid, O,S-diethyl S-isopropyl ester?
You can request a quote for Phosphorodithioic acid, O,S-diethyl S-isopropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphorodithioic acid, O,S-diethyl S-isopropyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorodithioic acid, O,S-diethyl S-isopropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.