![3-(Butylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole structure](/static/products/4052/40527-70-6.webp)
3-(Butylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole
TL;DR: 3-(Butylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole (CAS 40527-70-6) 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-butylsulfanyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
Also Known As: BAS 01152536, 3-(butylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole, 3-(butylthio)benzo[4,5]thiazolo[2,3-c][1,2,4]triazole, 3-butylthio-4-hydro-1,2,4-triazolo[3,4-b]benzothiazole, 1-butylsulfanyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
| Molecular Formula | C12H13N3S2 |
|---|---|
| Molecular Weight | 263.06 g/mol |
| LogP | 3.8362 |
| Topological Polar Surface Area | 30.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 263.05508 |
| Heavy Atoms | 17 |
| Complexity | 641.3287 |
Chemical Identifiers
| CAS Number | 40527-70-6 |
|---|---|
| SMILES | CCCCSC1=NN=C2N1C3=CC=CC=C3S2 |
Product Overview
3-(Butylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole (CAS 40527-70-6), with molecular formula C12H13N3S2 and molecular weight 263.06 g/mol. IUPAC: 1-butylsulfanyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole.
Chemical Property Profile of 3-(Butylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole
Property Insights of 3-(Butylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole
The XLogP value of 3.8362 indicates that 3-(Butylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.19 Ų, 3-(Butylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Butylsulfanyl)[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-(Butylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole?
The CAS number of 3-(Butylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole is 40527-70-6.
What is the molecular formula of 3-(Butylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole?
The molecular formula of 3-(Butylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole is C12H13N3S2.
What is the molecular weight of 3-(Butylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole?
The molecular weight of 3-(Butylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole is 263.06 g/mol.
Where can I buy 3-(Butylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole?
You can request a quote for 3-(Butylsulfanyl)[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-(Butylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(Butylsulfanyl)[1,2,4]triazolo[3,4-b][1,3]benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.