2-((4-Chlorobenzyl)thio)-5-((4-fluorobenzyl)thio)-1,3,4-thiadiazole
TL;DR: 2-((4-Chlorobenzyl)thio)-5-((4-fluorobenzyl)thio)-1,3,4-thiadiazole (CAS 499101-63-2) is a chemical compound with molecular formula C16H12ClFN2S3 and molecular weight 381.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)methylsulfanyl]-5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazole
Also Known As: 2-((4-CHLOROBENZYL)THIO)-5-((4-FLUOROBENZYL)THIO)-1,3,4-THIADIAZOLE, 2-[(4-chlorophenyl)methylsulfanyl]-5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazole, 2-[(4-chlorobenzyl)sulfanyl]-5-[(4-fluorobenzyl)sulfanyl]-1,3,4-thiadiazole, 2-{[(4-chlorophenyl)methyl]sulfanyl}-5-{[(4-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazole
| Molecular Formula | C16H12ClFN2S3 |
|---|---|
| Molecular Weight | 381.98 g/mol |
| LogP | 5.9152 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.98352 |
| Heavy Atoms | 23 |
| Complexity | 695.75635 |
Chemical Identifiers
| CAS Number | 499101-63-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC2=NN=C(S2)SCC3=CC=C(C=C3)Cl)F |
Product Overview
2-((4-Chlorobenzyl)thio)-5-((4-fluorobenzyl)thio)-1,3,4-thiadiazole (CAS 499101-63-2), with molecular formula C16H12ClFN2S3 and molecular weight 381.98 g/mol. IUPAC: 2-[(4-chlorophenyl)methylsulfanyl]-5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazole.
Chemical Property Profile of 2-((4-Chlorobenzyl)thio)-5-((4-fluorobenzyl)thio)-1,3,4-thiadiazole
Property Insights of 2-((4-Chlorobenzyl)thio)-5-((4-fluorobenzyl)thio)-1,3,4-thiadiazole
The XLogP value of 5.9152 indicates that 2-((4-Chlorobenzyl)thio)-5-((4-fluorobenzyl)thio)-1,3,4-thiadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.78 Ų, 2-((4-Chlorobenzyl)thio)-5-((4-fluorobenzyl)thio)-1,3,4-thiadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-Chlorobenzyl)thio)-5-((4-fluorobenzyl)thio)-1,3,4-thiadiazole has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((4-Chlorobenzyl)thio)-5-((4-fluorobenzyl)thio)-1,3,4-thiadiazole?
The CAS number of 2-((4-Chlorobenzyl)thio)-5-((4-fluorobenzyl)thio)-1,3,4-thiadiazole is 499101-63-2.
What is the molecular formula of 2-((4-Chlorobenzyl)thio)-5-((4-fluorobenzyl)thio)-1,3,4-thiadiazole?
The molecular formula of 2-((4-Chlorobenzyl)thio)-5-((4-fluorobenzyl)thio)-1,3,4-thiadiazole is C16H12ClFN2S3.
What is the molecular weight of 2-((4-Chlorobenzyl)thio)-5-((4-fluorobenzyl)thio)-1,3,4-thiadiazole?
The molecular weight of 2-((4-Chlorobenzyl)thio)-5-((4-fluorobenzyl)thio)-1,3,4-thiadiazole is 381.98 g/mol.
Where can I buy 2-((4-Chlorobenzyl)thio)-5-((4-fluorobenzyl)thio)-1,3,4-thiadiazole?
You can request a quote for 2-((4-Chlorobenzyl)thio)-5-((4-fluorobenzyl)thio)-1,3,4-thiadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-Chlorobenzyl)thio)-5-((4-fluorobenzyl)thio)-1,3,4-thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Chlorobenzyl)thio)-5-((4-fluorobenzyl)thio)-1,3,4-thiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.