![2-[(4-Chlorobenzyl)sulfanyl]-5-[(4-nitrobenzyl)sulfanyl]-1,3,4-thiadiazole structure](/static/products/4991/499101-84-7.webp)
2-[(4-Chlorobenzyl)sulfanyl]-5-[(4-nitrobenzyl)sulfanyl]-1,3,4-thiadiazole
TL;DR: 2-[(4-Chlorobenzyl)sulfanyl]-5-[(4-nitrobenzyl)sulfanyl]-1,3,4-thiadiazole (CAS 499101-84-7) is a chemical compound with molecular formula C16H12ClN3O2S3 and molecular weight 408.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)methylsulfanyl]-5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazole
Also Known As: 2-[(4-chlorobenzyl)sulfanyl]-5-[(4-nitrobenzyl)sulfanyl]-1,3,4-thiadiazole, 2-[(4-chlorophenyl)methylsulfanyl]-5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazole, 2-((4-chlorobenzyl)thio)-5-((4-nitrobenzyl)thio)-1,3,4-thiadiazole, 2-[(4-chlorobenzyl)thio]-5-[(4-nitrobenzyl)thio]-1,3,4-thiadiazole, 2-((4-CHLOROBENZYL)SULFANYL)-5-((4-NITROBENZYL)SULFANYL)-1,3,4-THIADIAZOLE
| Molecular Formula | C16H12ClN3O2S3 |
|---|---|
| Molecular Weight | 408.98 g/mol |
| LogP | 5.6843 |
| Topological Polar Surface Area | 68.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 408.97803 |
| Heavy Atoms | 25 |
| Complexity | 853.8213 |
Chemical Identifiers
| CAS Number | 499101-84-7 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC2=NN=C(S2)SCC3=CC=C(C=C3)Cl)[N+](=O)[O-] |
Product Overview
2-[(4-Chlorobenzyl)sulfanyl]-5-[(4-nitrobenzyl)sulfanyl]-1,3,4-thiadiazole (CAS 499101-84-7), with molecular formula C16H12ClN3O2S3 and molecular weight 408.98 g/mol. IUPAC: 2-[(4-chlorophenyl)methylsulfanyl]-5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazole.
Chemical Property Profile of 2-[(4-Chlorobenzyl)sulfanyl]-5-[(4-nitrobenzyl)sulfanyl]-1,3,4-thiadiazole
Property Insights of 2-[(4-Chlorobenzyl)sulfanyl]-5-[(4-nitrobenzyl)sulfanyl]-1,3,4-thiadiazole
The XLogP value of 5.6843 indicates that 2-[(4-Chlorobenzyl)sulfanyl]-5-[(4-nitrobenzyl)sulfanyl]-1,3,4-thiadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Chlorobenzyl)sulfanyl]-5-[(4-nitrobenzyl)sulfanyl]-1,3,4-thiadiazole. Following Lipinski's Rule of Five, 2-[(4-Chlorobenzyl)sulfanyl]-5-[(4-nitrobenzyl)sulfanyl]-1,3,4-thiadiazole has 0 hydrogen bond donor(s) and 7 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)sulfanyl]-5-[(4-nitrobenzyl)sulfanyl]-1,3,4-thiadiazole?
The CAS number of 2-[(4-Chlorobenzyl)sulfanyl]-5-[(4-nitrobenzyl)sulfanyl]-1,3,4-thiadiazole is 499101-84-7.
What is the molecular formula of 2-[(4-Chlorobenzyl)sulfanyl]-5-[(4-nitrobenzyl)sulfanyl]-1,3,4-thiadiazole?
The molecular formula of 2-[(4-Chlorobenzyl)sulfanyl]-5-[(4-nitrobenzyl)sulfanyl]-1,3,4-thiadiazole is C16H12ClN3O2S3.
What is the molecular weight of 2-[(4-Chlorobenzyl)sulfanyl]-5-[(4-nitrobenzyl)sulfanyl]-1,3,4-thiadiazole?
The molecular weight of 2-[(4-Chlorobenzyl)sulfanyl]-5-[(4-nitrobenzyl)sulfanyl]-1,3,4-thiadiazole is 408.98 g/mol.
Where can I buy 2-[(4-Chlorobenzyl)sulfanyl]-5-[(4-nitrobenzyl)sulfanyl]-1,3,4-thiadiazole?
You can request a quote for 2-[(4-Chlorobenzyl)sulfanyl]-5-[(4-nitrobenzyl)sulfanyl]-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)sulfanyl]-5-[(4-nitrobenzyl)sulfanyl]-1,3,4-thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Chlorobenzyl)sulfanyl]-5-[(4-nitrobenzyl)sulfanyl]-1,3,4-thiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.