2-(Benzylthio)-5-((3-chlorobenzyl)thio)-1,3,4-thiadiazole
TL;DR: 2-(Benzylthio)-5-((3-chlorobenzyl)thio)-1,3,4-thiadiazole (CAS 477332-71-1) is a chemical compound with molecular formula C16H13ClN2S3 and molecular weight 363.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-5-[(3-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazole
Also Known As: 2-(Benzylthio)-5-((3-chlorobenzyl)thio)-1,3,4-thiadiazole, 2-(benzylsulfanyl)-5-[(3-chlorobenzyl)sulfanyl]-1,3,4-thiadiazole, 2-(benzylsulfanyl)-5-{[(3-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazole, 2-benzylsulfanyl-5-[(3-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazole, 5-[(3-chlorophenyl)methylthio]-2-(phenylmethylthio)-1,3,4-thiadiazole
| Molecular Formula | C16H13ClN2S3 |
|---|---|
| Molecular Weight | 363.99 g/mol |
| LogP | 5.7761 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 363.99295 |
| Heavy Atoms | 22 |
| Complexity | 731.02057 |
Chemical Identifiers
| CAS Number | 477332-71-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NN=C(S2)SCC3=CC(=CC=C3)Cl |
Product Overview
2-(Benzylthio)-5-((3-chlorobenzyl)thio)-1,3,4-thiadiazole (CAS 477332-71-1), with molecular formula C16H13ClN2S3 and molecular weight 363.99 g/mol. IUPAC: 2-benzylsulfanyl-5-[(3-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazole.
Chemical Property Profile of 2-(Benzylthio)-5-((3-chlorobenzyl)thio)-1,3,4-thiadiazole
Property Insights of 2-(Benzylthio)-5-((3-chlorobenzyl)thio)-1,3,4-thiadiazole
The XLogP value of 5.7761 indicates that 2-(Benzylthio)-5-((3-chlorobenzyl)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-(Benzylthio)-5-((3-chlorobenzyl)thio)-1,3,4-thiadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Benzylthio)-5-((3-chlorobenzyl)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-(Benzylthio)-5-((3-chlorobenzyl)thio)-1,3,4-thiadiazole?
The CAS number of 2-(Benzylthio)-5-((3-chlorobenzyl)thio)-1,3,4-thiadiazole is 477332-71-1.
What is the molecular formula of 2-(Benzylthio)-5-((3-chlorobenzyl)thio)-1,3,4-thiadiazole?
The molecular formula of 2-(Benzylthio)-5-((3-chlorobenzyl)thio)-1,3,4-thiadiazole is C16H13ClN2S3.
What is the molecular weight of 2-(Benzylthio)-5-((3-chlorobenzyl)thio)-1,3,4-thiadiazole?
The molecular weight of 2-(Benzylthio)-5-((3-chlorobenzyl)thio)-1,3,4-thiadiazole is 363.99 g/mol.
Where can I buy 2-(Benzylthio)-5-((3-chlorobenzyl)thio)-1,3,4-thiadiazole?
You can request a quote for 2-(Benzylthio)-5-((3-chlorobenzyl)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-(Benzylthio)-5-((3-chlorobenzyl)thio)-1,3,4-thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylthio)-5-((3-chlorobenzyl)thio)-1,3,4-thiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.