2-((5-((4-Chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-N-(4-ethylphenyl)acetamide
TL;DR: 2-((5-((4-Chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-N-(4-ethylphenyl)acetamide (CAS 499101-90-5) is a chemical compound with molecular formula C19H18ClN3OS3 and molecular weight 435.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-ethylphenyl)acetamide
Also Known As: 2-((5-((4-Chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-N-(4-ethylphenyl)acetamide, 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-N-(4-ethylphenyl)acetamide, 2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-ethylphenyl)acetamide, 2-{5-[(4-chlorophenyl)methylthio](1,3,4-thiadiazol-2-ylthio)}-N-(4-ethylphenyl )acetamide, 2-((5-((4-CHLOROBENZYL)SULFANYL)-1,3,4-THIADIAZOL-2-YL)SULFANYL)-N-(4-ETHYLPHENYL)ACETAMIDE
| Molecular Formula | C19H18ClN3OS3 |
|---|---|
| Molecular Weight | 435.03 g/mol |
| LogP | 5.777 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 435.03006 |
| Heavy Atoms | 27 |
| Complexity | 881.97534 |
Chemical Identifiers
| CAS Number | 499101-90-5 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)SCC3=CC=C(C=C3)Cl |
Product Overview
2-((5-((4-Chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-N-(4-ethylphenyl)acetamide (CAS 499101-90-5), with molecular formula C19H18ClN3OS3 and molecular weight 435.03 g/mol. IUPAC: 2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-ethylphenyl)acetamide.
Chemical Property Profile of 2-((5-((4-Chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-N-(4-ethylphenyl)acetamide
Property Insights of 2-((5-((4-Chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-N-(4-ethylphenyl)acetamide
The XLogP value of 5.777 indicates that 2-((5-((4-Chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-N-(4-ethylphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, 2-((5-((4-Chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-N-(4-ethylphenyl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((5-((4-Chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-N-(4-ethylphenyl)acetamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((5-((4-Chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-N-(4-ethylphenyl)acetamide?
The CAS number of 2-((5-((4-Chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-N-(4-ethylphenyl)acetamide is 499101-90-5.
What is the molecular formula of 2-((5-((4-Chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-N-(4-ethylphenyl)acetamide?
The molecular formula of 2-((5-((4-Chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-N-(4-ethylphenyl)acetamide is C19H18ClN3OS3.
What is the molecular weight of 2-((5-((4-Chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-N-(4-ethylphenyl)acetamide?
The molecular weight of 2-((5-((4-Chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-N-(4-ethylphenyl)acetamide is 435.03 g/mol.
Where can I buy 2-((5-((4-Chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-N-(4-ethylphenyl)acetamide?
You can request a quote for 2-((5-((4-Chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-N-(4-ethylphenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((5-((4-Chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-N-(4-ethylphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-((4-Chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-N-(4-ethylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.