2-((4-Chlorobenzyl)thio)-5-((2,5-dimethylbenzyl)thio)-1,3,4-thiadiazole
TL;DR: 2-((4-Chlorobenzyl)thio)-5-((2,5-dimethylbenzyl)thio)-1,3,4-thiadiazole (CAS 676629-64-4) is a chemical compound with molecular formula C18H17ClN2S3 and molecular weight 392.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)methylsulfanyl]-5-[(2,5-dimethylphenyl)methylsulfanyl]-1,3,4-thiadiazole
Also Known As: UPCMLD0ENAT0519-5618:001, 2-((4-Chlorobenzyl)thio)-5-((2,5-dimethylbenzyl)thio)-1,3,4-thiadiazole, 2-[(4-chlorobenzyl)sulfanyl]-5-[(2,5-dimethylbenzyl)sulfanyl]-1,3,4-thiadiazole, 2-[(4-chlorophenyl)methylsulfanyl]-5-[(2,5-dimethylphenyl)methylsulfanyl]-1,3,4-thiadiazole, 2-{[(4-chlorophenyl)methyl]sulfanyl}-5-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1,3,4-thiadiazole
| Molecular Formula | C18H17ClN2S3 |
|---|---|
| Molecular Weight | 392.02 g/mol |
| LogP | 6.39294 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 392.02423 |
| Heavy Atoms | 24 |
| Complexity | 815.3861 |
Chemical Identifiers
| CAS Number | 676629-64-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)CSC2=NN=C(S2)SCC3=CC=C(C=C3)Cl |
Product Overview
2-((4-Chlorobenzyl)thio)-5-((2,5-dimethylbenzyl)thio)-1,3,4-thiadiazole (CAS 676629-64-4), with molecular formula C18H17ClN2S3 and molecular weight 392.02 g/mol. IUPAC: 2-[(4-chlorophenyl)methylsulfanyl]-5-[(2,5-dimethylphenyl)methylsulfanyl]-1,3,4-thiadiazole.
Chemical Property Profile of 2-((4-Chlorobenzyl)thio)-5-((2,5-dimethylbenzyl)thio)-1,3,4-thiadiazole
Property Insights of 2-((4-Chlorobenzyl)thio)-5-((2,5-dimethylbenzyl)thio)-1,3,4-thiadiazole
The XLogP value of 6.39294 indicates that 2-((4-Chlorobenzyl)thio)-5-((2,5-dimethylbenzyl)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-((2,5-dimethylbenzyl)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-((2,5-dimethylbenzyl)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-((2,5-dimethylbenzyl)thio)-1,3,4-thiadiazole?
The CAS number of 2-((4-Chlorobenzyl)thio)-5-((2,5-dimethylbenzyl)thio)-1,3,4-thiadiazole is 676629-64-4.
What is the molecular formula of 2-((4-Chlorobenzyl)thio)-5-((2,5-dimethylbenzyl)thio)-1,3,4-thiadiazole?
The molecular formula of 2-((4-Chlorobenzyl)thio)-5-((2,5-dimethylbenzyl)thio)-1,3,4-thiadiazole is C18H17ClN2S3.
What is the molecular weight of 2-((4-Chlorobenzyl)thio)-5-((2,5-dimethylbenzyl)thio)-1,3,4-thiadiazole?
The molecular weight of 2-((4-Chlorobenzyl)thio)-5-((2,5-dimethylbenzyl)thio)-1,3,4-thiadiazole is 392.02 g/mol.
Where can I buy 2-((4-Chlorobenzyl)thio)-5-((2,5-dimethylbenzyl)thio)-1,3,4-thiadiazole?
You can request a quote for 2-((4-Chlorobenzyl)thio)-5-((2,5-dimethylbenzyl)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-((2,5-dimethylbenzyl)thio)-1,3,4-thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Chlorobenzyl)thio)-5-((2,5-dimethylbenzyl)thio)-1,3,4-thiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.