![2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(4-fluorophenyl)ethanone structure](/static/products/499/499101-64-3.png)
2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(4-fluorophenyl)ethanone
TL;DR: 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(4-fluorophenyl)ethanone (CAS 499101-64-3) is a chemical compound with molecular formula C17H12ClFN2OS3 and molecular weight 409.98 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]-1-(4-fluorophenyl)ethanone
Also Known As: 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(4-fluorophenyl)ethanone, 2-((5-((4-CHLOROBENZYL)THIO)-1,3,4-THIADIAZOL-2-YL)THIO)-1-(4-F-PHENYL)ETHANONE, 2-((5-((4-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-1-(4-fluorophenyl)ethanone, 2-[(5-{[(4-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-fluorophenyl)ethan-1-one, 2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-fluorophenyl)ethanone
| Molecular Formula | C17H12ClFN2OS3 |
|---|---|
| Molecular Weight | 409.98 g/mol |
| LogP | 5.5979 |
| Topological Polar Surface Area | 42.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 409.97842 |
| Heavy Atoms | 25 |
| Complexity | 853.08936 |
Chemical Identifiers
| CAS Number | 499101-64-3 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC2=NN=C(S2)SCC(=O)C3=CC=C(C=C3)F)Cl |
Product Overview
2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(4-fluorophenyl)ethanone (CAS 499101-64-3), with molecular formula C17H12ClFN2OS3 and molecular weight 409.98 g/mol. IUPAC: 2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-fluorophenyl)ethanone.
Chemical Property Profile of 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(4-fluorophenyl)ethanone
Property Insights of 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(4-fluorophenyl)ethanone
The XLogP value of 5.5979 indicates that 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(4-fluorophenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.85 Ų, 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(4-fluorophenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(4-fluorophenyl)ethanone has 0 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)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(4-fluorophenyl)ethanone?
The CAS number of 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(4-fluorophenyl)ethanone is 499101-64-3.
What is the molecular formula of 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(4-fluorophenyl)ethanone?
The molecular formula of 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(4-fluorophenyl)ethanone is C17H12ClFN2OS3.
What is the molecular weight of 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(4-fluorophenyl)ethanone?
The molecular weight of 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(4-fluorophenyl)ethanone is 409.98 g/mol.
Where can I buy 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(4-fluorophenyl)ethanone?
You can request a quote for 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(4-fluorophenyl)ethanone 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)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(4-fluorophenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-(4-fluorophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.