![3-(Ethylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole structure](/static/products/4052/40527-69-3.webp)
3-(Ethylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole
TL;DR: 3-(Ethylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole (CAS 40527-69-3) is a chemical compound with molecular formula C10H9N3S2 and molecular weight 235.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethylsulfanyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
Also Known As: IFLab1_004180, 3-(ethylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole, BAS 01152535, 1-ethylsulfanyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole, 3-ethylmercapto-sym-triazolo[3,4-b]benzothiazole
| Molecular Formula | C10H9N3S2 |
|---|---|
| Molecular Weight | 235.02 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 83.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.02379 |
| Heavy Atoms | 15 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 40527-69-3 |
|---|---|
| SMILES | CCSC1=NN=C2N1C3=CC=CC=C3S2 |
| InChIKey | DCNUHPWWDJNENH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Ethylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole (CAS 40527-69-3), with molecular formula C10H9N3S2 and molecular weight 235.02 g/mol. IUPAC: 1-ethylsulfanyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole.
Chemical Property Profile of 3-(Ethylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole
Property Insights of 3-(Ethylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole
The XLogP value of 3.9 indicates that 3-(Ethylsulfanyl)[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-(Ethylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole. Following Lipinski's Rule of Five, 3-(Ethylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(Ethylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole?
The CAS number of 3-(Ethylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole is 40527-69-3.
What is the molecular formula of 3-(Ethylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole?
The molecular formula of 3-(Ethylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole is C10H9N3S2.
What is the molecular weight of 3-(Ethylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole?
The molecular weight of 3-(Ethylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole is 235.02 g/mol.
Where can I buy 3-(Ethylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole?
You can request a quote for 3-(Ethylsulfanyl)[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-(Ethylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(Ethylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.