O,O-Diethyl S-propan-2-yl phosphorodithioate
TL;DR: O,O-Diethyl S-propan-2-yl phosphorodithioate (CAS 49774-03-0) 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.
diethoxy-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane
Also Known As: O,O-Diethyl S-propan-2-yl phosphorodithioate, diethoxy-propan-2-ylsulfanyl-sulfanylidene-, O,O-Diethyl S-(propan-2-yl) phosphorodithioate, diethoxy-propan-2-ylsulfanyl-sulfanylidene-phosphorane, diethoxy-propan-2-ylsulfanyl-sulfanylidene-
| Molecular Formula | C7H17O2PS2 |
|---|---|
| Molecular Weight | 228.04 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 75.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 228.04076 |
| Heavy Atoms | 12 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 49774-03-0 |
|---|---|
| SMILES | CCOP(=S)(OCC)SC(C)C |
| InChIKey | CKUIDLBKBJLETB-UHFFFAOYSA-N |
Product Overview
O,O-Diethyl S-propan-2-yl phosphorodithioate (CAS 49774-03-0), with molecular formula C7H17O2PS2 and molecular weight 228.04 g/mol. IUPAC: diethoxy-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane.
Chemical Property Profile of O,O-Diethyl S-propan-2-yl phosphorodithioate
Property Insights of O,O-Diethyl S-propan-2-yl phosphorodithioate
The XLogP value of 3.2 indicates that O,O-Diethyl S-propan-2-yl phosphorodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.9 Ų falls within the moderate polarity range, balancing permeability and solubility for O,O-Diethyl S-propan-2-yl phosphorodithioate. Following Lipinski's Rule of Five, O,O-Diethyl S-propan-2-yl phosphorodithioate 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 O,O-Diethyl S-propan-2-yl phosphorodithioate?
The CAS number of O,O-Diethyl S-propan-2-yl phosphorodithioate is 49774-03-0.
What is the molecular formula of O,O-Diethyl S-propan-2-yl phosphorodithioate?
The molecular formula of O,O-Diethyl S-propan-2-yl phosphorodithioate is C7H17O2PS2.
What is the molecular weight of O,O-Diethyl S-propan-2-yl phosphorodithioate?
The molecular weight of O,O-Diethyl S-propan-2-yl phosphorodithioate is 228.04 g/mol.
Where can I buy O,O-Diethyl S-propan-2-yl phosphorodithioate?
You can request a quote for O,O-Diethyl S-propan-2-yl phosphorodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O,O-Diethyl S-propan-2-yl phosphorodithioate?
Yes, KEHONG BIO provides custom synthesis services for O,O-Diethyl S-propan-2-yl phosphorodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.