O,O-Dimethyl S-((5-methoxy-1,3,4-thiadiazol-2-yl)methyl) phosphorodithioate
TL;DR: O,O-Dimethyl S-((5-methoxy-1,3,4-thiadiazol-2-yl)methyl) phosphorodithioate (CAS 4627-64-9) is a chemical compound with molecular formula C6H11N2O3PS3 and molecular weight 285.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethoxy-[(5-methoxy-1,3,4-thiadiazol-2-yl)methylsulfanyl]-sulfanylidene-λ5-phosphane
Also Known As: O,O-Dimethyl S-((5-methoxy-1,3,4-thiadiazol-2-yl)methyl) phosphorodithioate, s-[(5-methoxy-1,3,4-thiadiazol-2-yl)methyl] o,o-dimethyl phosphorodithioate, Phosphorodithioic acid, O,O-dimethyl S-((5-methoxy-1,3,4-thiadiazol-2-yl)methyl) ester, dimethoxy-[(5-methoxy-1,3,4-thiadiazol-2-yl)methylsulfanyl]-sulfanylidene-, dithiophosphoric acid S-(5-methoxy-[1,3,4]thiadiazol-2-ylmethyl) ester O,O'-dimethyl ester
| Molecular Formula | C6H11N2O3PS3 |
|---|---|
| Molecular Weight | 285.97 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 285.96695 |
| Heavy Atoms | 15 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 4627-64-9 |
|---|---|
| SMILES | COC1=NN=C(S1)CSP(=S)(OC)OC |
| InChIKey | CJAKFTFPGLAECP-UHFFFAOYSA-N |
Product Overview
O,O-Dimethyl S-((5-methoxy-1,3,4-thiadiazol-2-yl)methyl) phosphorodithioate (CAS 4627-64-9), with molecular formula C6H11N2O3PS3 and molecular weight 285.97 g/mol. IUPAC: dimethoxy-[(5-methoxy-1,3,4-thiadiazol-2-yl)methylsulfanyl]-sulfanylidene-λ5-phosphane.
Chemical Property Profile of O,O-Dimethyl S-((5-methoxy-1,3,4-thiadiazol-2-yl)methyl) phosphorodithioate
Property Insights of O,O-Dimethyl S-((5-methoxy-1,3,4-thiadiazol-2-yl)methyl) phosphorodithioate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O,O-Dimethyl S-((5-methoxy-1,3,4-thiadiazol-2-yl)methyl) phosphorodithioate. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for O,O-Dimethyl S-((5-methoxy-1,3,4-thiadiazol-2-yl)methyl) phosphorodithioate. Following Lipinski's Rule of Five, O,O-Dimethyl S-((5-methoxy-1,3,4-thiadiazol-2-yl)methyl) phosphorodithioate 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 O,O-Dimethyl S-((5-methoxy-1,3,4-thiadiazol-2-yl)methyl) phosphorodithioate?
The CAS number of O,O-Dimethyl S-((5-methoxy-1,3,4-thiadiazol-2-yl)methyl) phosphorodithioate is 4627-64-9.
What is the molecular formula of O,O-Dimethyl S-((5-methoxy-1,3,4-thiadiazol-2-yl)methyl) phosphorodithioate?
The molecular formula of O,O-Dimethyl S-((5-methoxy-1,3,4-thiadiazol-2-yl)methyl) phosphorodithioate is C6H11N2O3PS3.
What is the molecular weight of O,O-Dimethyl S-((5-methoxy-1,3,4-thiadiazol-2-yl)methyl) phosphorodithioate?
The molecular weight of O,O-Dimethyl S-((5-methoxy-1,3,4-thiadiazol-2-yl)methyl) phosphorodithioate is 285.97 g/mol.
Where can I buy O,O-Dimethyl S-((5-methoxy-1,3,4-thiadiazol-2-yl)methyl) phosphorodithioate?
You can request a quote for O,O-Dimethyl S-((5-methoxy-1,3,4-thiadiazol-2-yl)methyl) 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-Dimethyl S-((5-methoxy-1,3,4-thiadiazol-2-yl)methyl) phosphorodithioate?
Yes, KEHONG BIO provides custom synthesis services for O,O-Dimethyl S-((5-methoxy-1,3,4-thiadiazol-2-yl)methyl) phosphorodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.