![3-Isobutylsulfanyl-benzo[4,5]thiazolo[2,3-c][1,2,4]triazole structure](/static/products/3280/328022-28-2.webp)
3-Isobutylsulfanyl-benzo[4,5]thiazolo[2,3-c][1,2,4]triazole
TL;DR: 3-Isobutylsulfanyl-benzo[4,5]thiazolo[2,3-c][1,2,4]triazole (CAS 328022-28-2) is a chemical compound with molecular formula C12H13N3S2 and molecular weight 263.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methylpropylsulfanyl)-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
Also Known As: ChemDiv3_002520, BAS 01152537, 3-Isobutylsulfanyl-benzo[4,5]thiazolo[2,3-c][1,2,4]triazole, BRD-K14624945-001-01-2, 3-(ISOBUTYLSULFANYL)[1,2,4]TRIAZOLO[3,4-B][1,3]BENZOTHIAZOLE
| Molecular Formula | C12H13N3S2 |
|---|---|
| Molecular Weight | 263.06 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 83.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.05508 |
| Heavy Atoms | 17 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 328022-28-2 |
|---|---|
| SMILES | CC(C)CSC1=NN=C2N1C3=CC=CC=C3S2 |
| InChIKey | CUNVZENLFRGHAB-UHFFFAOYSA-N |
Product Overview
3-Isobutylsulfanyl-benzo[4,5]thiazolo[2,3-c][1,2,4]triazole (CAS 328022-28-2), with molecular formula C12H13N3S2 and molecular weight 263.06 g/mol. IUPAC: 1-(2-methylpropylsulfanyl)-[1,2,4]triazolo[3,4-b][1,3]benzothiazole.
Chemical Property Profile of 3-Isobutylsulfanyl-benzo[4,5]thiazolo[2,3-c][1,2,4]triazole
Property Insights of 3-Isobutylsulfanyl-benzo[4,5]thiazolo[2,3-c][1,2,4]triazole
The XLogP value of 4.9 indicates that 3-Isobutylsulfanyl-benzo[4,5]thiazolo[2,3-c][1,2,4]triazole 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-Isobutylsulfanyl-benzo[4,5]thiazolo[2,3-c][1,2,4]triazole. Following Lipinski's Rule of Five, 3-Isobutylsulfanyl-benzo[4,5]thiazolo[2,3-c][1,2,4]triazole 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-Isobutylsulfanyl-benzo[4,5]thiazolo[2,3-c][1,2,4]triazole?
The CAS number of 3-Isobutylsulfanyl-benzo[4,5]thiazolo[2,3-c][1,2,4]triazole is 328022-28-2.
What is the molecular formula of 3-Isobutylsulfanyl-benzo[4,5]thiazolo[2,3-c][1,2,4]triazole?
The molecular formula of 3-Isobutylsulfanyl-benzo[4,5]thiazolo[2,3-c][1,2,4]triazole is C12H13N3S2.
What is the molecular weight of 3-Isobutylsulfanyl-benzo[4,5]thiazolo[2,3-c][1,2,4]triazole?
The molecular weight of 3-Isobutylsulfanyl-benzo[4,5]thiazolo[2,3-c][1,2,4]triazole is 263.06 g/mol.
Where can I buy 3-Isobutylsulfanyl-benzo[4,5]thiazolo[2,3-c][1,2,4]triazole?
You can request a quote for 3-Isobutylsulfanyl-benzo[4,5]thiazolo[2,3-c][1,2,4]triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Isobutylsulfanyl-benzo[4,5]thiazolo[2,3-c][1,2,4]triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Isobutylsulfanyl-benzo[4,5]thiazolo[2,3-c][1,2,4]triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.