Methyl ((5-((4-methoxybenzyl)thio)-1,3,4-thiadiazol-2-YL)thio)acetate
TL;DR: Methyl ((5-((4-methoxybenzyl)thio)-1,3,4-thiadiazol-2-YL)thio)acetate (CAS 680988-25-4) is a chemical compound with molecular formula C13H14N2O3S3 and molecular weight 342.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
Also Known As: methyl ({5-[(4-methoxybenzyl)thio]-1,3,4-thiadiazol-2-yl}thio)acetate, Methyl 2-((5-((4-methoxybenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetate, methyl 2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate, Methyl ((5-((4-methoxybenzyl)thio)-1,3,4-thiadiazol-2-YL)thio)acetate, methyl ({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate
| Molecular Formula | C13H14N2O3S3 |
|---|---|
| Molecular Weight | 342.02 g/mol |
| LogP | 3.1041 |
| Topological Polar Surface Area | 61.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 342.01666 |
| Heavy Atoms | 21 |
| Complexity | 586.60236 |
Chemical Identifiers
| CAS Number | 680988-25-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CSC2=NN=C(S2)SCC(=O)OC |
Product Overview
Methyl ((5-((4-methoxybenzyl)thio)-1,3,4-thiadiazol-2-YL)thio)acetate (CAS 680988-25-4), with molecular formula C13H14N2O3S3 and molecular weight 342.02 g/mol. IUPAC: methyl 2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate.
Chemical Property Profile of Methyl ((5-((4-methoxybenzyl)thio)-1,3,4-thiadiazol-2-YL)thio)acetate
Property Insights of Methyl ((5-((4-methoxybenzyl)thio)-1,3,4-thiadiazol-2-YL)thio)acetate
The XLogP value of 3.1041 indicates that Methyl ((5-((4-methoxybenzyl)thio)-1,3,4-thiadiazol-2-YL)thio)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.31 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl ((5-((4-methoxybenzyl)thio)-1,3,4-thiadiazol-2-YL)thio)acetate. Following Lipinski's Rule of Five, Methyl ((5-((4-methoxybenzyl)thio)-1,3,4-thiadiazol-2-YL)thio)acetate 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 Methyl ((5-((4-methoxybenzyl)thio)-1,3,4-thiadiazol-2-YL)thio)acetate?
The CAS number of Methyl ((5-((4-methoxybenzyl)thio)-1,3,4-thiadiazol-2-YL)thio)acetate is 680988-25-4.
What is the molecular formula of Methyl ((5-((4-methoxybenzyl)thio)-1,3,4-thiadiazol-2-YL)thio)acetate?
The molecular formula of Methyl ((5-((4-methoxybenzyl)thio)-1,3,4-thiadiazol-2-YL)thio)acetate is C13H14N2O3S3.
What is the molecular weight of Methyl ((5-((4-methoxybenzyl)thio)-1,3,4-thiadiazol-2-YL)thio)acetate?
The molecular weight of Methyl ((5-((4-methoxybenzyl)thio)-1,3,4-thiadiazol-2-YL)thio)acetate is 342.02 g/mol.
Where can I buy Methyl ((5-((4-methoxybenzyl)thio)-1,3,4-thiadiazol-2-YL)thio)acetate?
You can request a quote for Methyl ((5-((4-methoxybenzyl)thio)-1,3,4-thiadiazol-2-YL)thio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl ((5-((4-methoxybenzyl)thio)-1,3,4-thiadiazol-2-YL)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl ((5-((4-methoxybenzyl)thio)-1,3,4-thiadiazol-2-YL)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.