Phosphorodithioic acid, O,O-diethyl S-((5-(2-propenylthio)-1,3,4-thiadiazol-2-yl)methyl) ester
TL;DR: Phosphorodithioic acid, O,O-diethyl S-((5-(2-propenylthio)-1,3,4-thiadiazol-2-yl)methyl) ester (CAS 6339-74-8) is a chemical compound with molecular formula C10H17N2O2PS4 and molecular weight 355.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethoxy-[(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]-sulfanylidene-λ5-phosphane
Also Known As: Phosphorodithioic acid, O,O-diethyl S-((5-(2-propenylthio)-1,3,4-thiadiazol-2-yl)methyl) ester, o,o-diethyl s-{[5-(prop-2-en-1-ylsulfanyl)-1,3,4-thiadiazol-2-yl]methyl} phosphorodithioate, diethoxy-[(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]-sulfanylidene-, dithiophosphoric acid S-(5-allylsulfanyl-[1,3,4]thiadiazol-2-ylmethyl) ester O,O'-diethyl ester, O,O-Diethyl S-({5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}methyl) phosphorodithioate
| Molecular Formula | C10H17N2O2PS4 |
|---|---|
| Molecular Weight | 355.99 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 355.99106 |
| Heavy Atoms | 19 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 6339-74-8 |
|---|---|
| SMILES | CCOP(=S)(OCC)SCC1=NN=C(S1)SCC=C |
| InChIKey | DMWTUKSGEASZRE-UHFFFAOYSA-N |
Product Overview
Phosphorodithioic acid, O,O-diethyl S-((5-(2-propenylthio)-1,3,4-thiadiazol-2-yl)methyl) ester (CAS 6339-74-8), with molecular formula C10H17N2O2PS4 and molecular weight 355.99 g/mol. IUPAC: diethoxy-[(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorodithioic acid, O,O-diethyl S-((5-(2-propenylthio)-1,3,4-thiadiazol-2-yl)methyl) ester
Property Insights of Phosphorodithioic acid, O,O-diethyl S-((5-(2-propenylthio)-1,3,4-thiadiazol-2-yl)methyl) ester
The XLogP value of 3.8 indicates that Phosphorodithioic acid, O,O-diethyl S-((5-(2-propenylthio)-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-(2-propenylthio)-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-(2-propenylthio)-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-(2-propenylthio)-1,3,4-thiadiazol-2-yl)methyl) ester?
The CAS number of Phosphorodithioic acid, O,O-diethyl S-((5-(2-propenylthio)-1,3,4-thiadiazol-2-yl)methyl) ester is 6339-74-8.
What is the molecular formula of Phosphorodithioic acid, O,O-diethyl S-((5-(2-propenylthio)-1,3,4-thiadiazol-2-yl)methyl) ester?
The molecular formula of Phosphorodithioic acid, O,O-diethyl S-((5-(2-propenylthio)-1,3,4-thiadiazol-2-yl)methyl) ester is C10H17N2O2PS4.
What is the molecular weight of Phosphorodithioic acid, O,O-diethyl S-((5-(2-propenylthio)-1,3,4-thiadiazol-2-yl)methyl) ester?
The molecular weight of Phosphorodithioic acid, O,O-diethyl S-((5-(2-propenylthio)-1,3,4-thiadiazol-2-yl)methyl) ester is 355.99 g/mol.
Where can I buy Phosphorodithioic acid, O,O-diethyl S-((5-(2-propenylthio)-1,3,4-thiadiazol-2-yl)methyl) ester?
You can request a quote for Phosphorodithioic acid, O,O-diethyl S-((5-(2-propenylthio)-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-(2-propenylthio)-1,3,4-thiadiazol-2-yl)methyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorodithioic acid, O,O-diethyl S-((5-(2-propenylthio)-1,3,4-thiadiazol-2-yl)methyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.