Phosphorodithioic acid, O,O-diethyl S-((5-((1-methylethyl)thio)-1,3,4-thiadiazol-2-yl)methyl)ester
TL;DR: Phosphorodithioic acid, O,O-diethyl S-((5-((1-methylethyl)thio)-1,3,4-thiadiazol-2-yl)methyl)ester (CAS 6341-38-4) is a chemical compound with molecular formula C10H19N2O2PS4 and molecular weight 358.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethoxy-[(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]-sulfanylidene-λ5-phosphane
Also Known As: Phosphorodithioic acid, O,O-diethyl S-((5-((1-methylethyl)thio)-1,3,4-thiadiazol-2-yl)methyl)ester, o,o-diethyl s-{[5-(propan-2-ylsulfanyl)-1,3,4-thiadiazol-2-yl]methyl} phosphorodithioate, diethoxy-[(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]-sulfanylidene-, E5-phosphane, O,O-Diethyl S-({5-[(propan-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}methyl) phosphorodithioate
| Molecular Formula | C10H19N2O2PS4 |
|---|---|
| Molecular Weight | 358.01 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 358.0067 |
| Heavy Atoms | 19 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 6341-38-4 |
|---|---|
| SMILES | CCOP(=S)(OCC)SCC1=NN=C(S1)SC(C)C |
| InChIKey | SVSQVSIYIUNRLH-UHFFFAOYSA-N |
Product Overview
Phosphorodithioic acid, O,O-diethyl S-((5-((1-methylethyl)thio)-1,3,4-thiadiazol-2-yl)methyl)ester (CAS 6341-38-4), with molecular formula C10H19N2O2PS4 and molecular weight 358.01 g/mol. IUPAC: diethoxy-[(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorodithioic acid, O,O-diethyl S-((5-((1-methylethyl)thio)-1,3,4-thiadiazol-2-yl)methyl)ester
Property Insights of Phosphorodithioic acid, O,O-diethyl S-((5-((1-methylethyl)thio)-1,3,4-thiadiazol-2-yl)methyl)ester
The XLogP value of 4.0 indicates that Phosphorodithioic acid, O,O-diethyl S-((5-((1-methylethyl)thio)-1,3,4-thiadiazol-2-yl)methyl)ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.0 Ų indicates high polarity, suggesting Phosphorodithioic acid, O,O-diethyl S-((5-((1-methylethyl)thio)-1,3,4-thiadiazol-2-yl)methyl)ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phosphorodithioic acid, O,O-diethyl S-((5-((1-methylethyl)thio)-1,3,4-thiadiazol-2-yl)methyl)ester has 0 hydrogen bond donor(s) and 8 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,O-diethyl S-((5-((1-methylethyl)thio)-1,3,4-thiadiazol-2-yl)methyl)ester?
The CAS number of Phosphorodithioic acid, O,O-diethyl S-((5-((1-methylethyl)thio)-1,3,4-thiadiazol-2-yl)methyl)ester is 6341-38-4.
What is the molecular formula of Phosphorodithioic acid, O,O-diethyl S-((5-((1-methylethyl)thio)-1,3,4-thiadiazol-2-yl)methyl)ester?
The molecular formula of Phosphorodithioic acid, O,O-diethyl S-((5-((1-methylethyl)thio)-1,3,4-thiadiazol-2-yl)methyl)ester is C10H19N2O2PS4.
What is the molecular weight of Phosphorodithioic acid, O,O-diethyl S-((5-((1-methylethyl)thio)-1,3,4-thiadiazol-2-yl)methyl)ester?
The molecular weight of Phosphorodithioic acid, O,O-diethyl S-((5-((1-methylethyl)thio)-1,3,4-thiadiazol-2-yl)methyl)ester is 358.01 g/mol.
Where can I buy Phosphorodithioic acid, O,O-diethyl S-((5-((1-methylethyl)thio)-1,3,4-thiadiazol-2-yl)methyl)ester?
You can request a quote for Phosphorodithioic acid, O,O-diethyl S-((5-((1-methylethyl)thio)-1,3,4-thiadiazol-2-yl)methyl)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,O-diethyl S-((5-((1-methylethyl)thio)-1,3,4-thiadiazol-2-yl)methyl)ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorodithioic acid, O,O-diethyl S-((5-((1-methylethyl)thio)-1,3,4-thiadiazol-2-yl)methyl)ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.