![3-[(3-Chlorobenzyl)sulfanyl][1,2,4]triazolo[3,4-b][1,3]benzothiazole structure](/static/products/4887/488724-65-8.webp)
3-[(3-Chlorobenzyl)sulfanyl][1,2,4]triazolo[3,4-b][1,3]benzothiazole
TL;DR: 3-[(3-Chlorobenzyl)sulfanyl][1,2,4]triazolo[3,4-b][1,3]benzothiazole (CAS 488724-65-8) is a chemical compound with molecular formula C15H10ClN3S2 and molecular weight 331.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3-chlorophenyl)methylsulfanyl]-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
Also Known As: 3-[(3-chlorobenzyl)sulfanyl][1,2,4]triazolo[3,4-b][1,3]benzothiazole, A2928/0123221, 3-((3-chlorobenzyl)thio)benzo[4,5]thiazolo[2,3-c][1,2,4]triazole, Benzo[4,5]thiazolo[2,3-c][1,2,4]triazole, 3-(3-chlorobenzylsulfanyl)-, 1-[(3-chlorophenyl)methylsulfanyl]-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
| Molecular Formula | C15H10ClN3S2 |
|---|---|
| Molecular Weight | 331.00 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 83.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.00046 |
| Heavy Atoms | 21 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 488724-65-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N3C(=NN=C3SCC4=CC(=CC=C4)Cl)S2 |
| InChIKey | SDDUHCYWAFDZNV-UHFFFAOYSA-N |
Product Overview
3-[(3-Chlorobenzyl)sulfanyl][1,2,4]triazolo[3,4-b][1,3]benzothiazole (CAS 488724-65-8), with molecular formula C15H10ClN3S2 and molecular weight 331.00 g/mol. IUPAC: 1-[(3-chlorophenyl)methylsulfanyl]-[1,2,4]triazolo[3,4-b][1,3]benzothiazole.
Chemical Property Profile of 3-[(3-Chlorobenzyl)sulfanyl][1,2,4]triazolo[3,4-b][1,3]benzothiazole
Property Insights of 3-[(3-Chlorobenzyl)sulfanyl][1,2,4]triazolo[3,4-b][1,3]benzothiazole
The XLogP value of 5.7 indicates that 3-[(3-Chlorobenzyl)sulfanyl][1,2,4]triazolo[3,4-b][1,3]benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(3-Chlorobenzyl)sulfanyl][1,2,4]triazolo[3,4-b][1,3]benzothiazole. Following Lipinski's Rule of Five, 3-[(3-Chlorobenzyl)sulfanyl][1,2,4]triazolo[3,4-b][1,3]benzothiazole has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[(3-Chlorobenzyl)sulfanyl][1,2,4]triazolo[3,4-b][1,3]benzothiazole?
The CAS number of 3-[(3-Chlorobenzyl)sulfanyl][1,2,4]triazolo[3,4-b][1,3]benzothiazole is 488724-65-8.
What is the molecular formula of 3-[(3-Chlorobenzyl)sulfanyl][1,2,4]triazolo[3,4-b][1,3]benzothiazole?
The molecular formula of 3-[(3-Chlorobenzyl)sulfanyl][1,2,4]triazolo[3,4-b][1,3]benzothiazole is C15H10ClN3S2.
What is the molecular weight of 3-[(3-Chlorobenzyl)sulfanyl][1,2,4]triazolo[3,4-b][1,3]benzothiazole?
The molecular weight of 3-[(3-Chlorobenzyl)sulfanyl][1,2,4]triazolo[3,4-b][1,3]benzothiazole is 331.00 g/mol.
Where can I buy 3-[(3-Chlorobenzyl)sulfanyl][1,2,4]triazolo[3,4-b][1,3]benzothiazole?
You can request a quote for 3-[(3-Chlorobenzyl)sulfanyl][1,2,4]triazolo[3,4-b][1,3]benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(3-Chlorobenzyl)sulfanyl][1,2,4]triazolo[3,4-b][1,3]benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3-Chlorobenzyl)sulfanyl][1,2,4]triazolo[3,4-b][1,3]benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.