![3-[(3-Methylbenzyl)sulfanyl][1,2,4]triazolo[3,4-b][1,3]benzothiazole structure](/static/products/4870/487023-78-9.webp)
3-[(3-Methylbenzyl)sulfanyl][1,2,4]triazolo[3,4-b][1,3]benzothiazole
TL;DR: 3-[(3-Methylbenzyl)sulfanyl][1,2,4]triazolo[3,4-b][1,3]benzothiazole (CAS 487023-78-9) is a chemical compound with molecular formula C16H13N3S2 and molecular weight 311.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3-methylphenyl)methylsulfanyl]-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
Also Known As: 3-[(3-methylbenzyl)sulfanyl][1,2,4]triazolo[3,4-b][1,3]benzothiazole, AJ-292/41685416, 1-[(3-methylphenyl)methylsulfanyl]-[1,2,4]triazolo[3,4-b][1,3]benzothiazole, 3-((3-methylbenzyl)thio)benzo[4,5]thiazolo[2,3-c][1,2,4]triazole, 3-[(3-methylphenyl)methylthio]-4-hydro-1,2,4-triazolo[3,4-b]benzothiazole
| Molecular Formula | C16H13N3S2 |
|---|---|
| Molecular Weight | 311.06 g/mol |
| LogP | 4.54472 |
| Topological Polar Surface Area | 30.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.05508 |
| Heavy Atoms | 21 |
| Complexity | 923.47644 |
Chemical Identifiers
| CAS Number | 487023-78-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CSC2=NN=C3N2C4=CC=CC=C4S3 |
Product Overview
3-[(3-Methylbenzyl)sulfanyl][1,2,4]triazolo[3,4-b][1,3]benzothiazole (CAS 487023-78-9), with molecular formula C16H13N3S2 and molecular weight 311.06 g/mol. IUPAC: 1-[(3-methylphenyl)methylsulfanyl]-[1,2,4]triazolo[3,4-b][1,3]benzothiazole.
Chemical Property Profile of 3-[(3-Methylbenzyl)sulfanyl][1,2,4]triazolo[3,4-b][1,3]benzothiazole
Property Insights of 3-[(3-Methylbenzyl)sulfanyl][1,2,4]triazolo[3,4-b][1,3]benzothiazole
The XLogP value of 4.54472 indicates that 3-[(3-Methylbenzyl)sulfanyl][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-[(3-Methylbenzyl)sulfanyl][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-[(3-Methylbenzyl)sulfanyl][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-[(3-Methylbenzyl)sulfanyl][1,2,4]triazolo[3,4-b][1,3]benzothiazole?
The CAS number of 3-[(3-Methylbenzyl)sulfanyl][1,2,4]triazolo[3,4-b][1,3]benzothiazole is 487023-78-9.
What is the molecular formula of 3-[(3-Methylbenzyl)sulfanyl][1,2,4]triazolo[3,4-b][1,3]benzothiazole?
The molecular formula of 3-[(3-Methylbenzyl)sulfanyl][1,2,4]triazolo[3,4-b][1,3]benzothiazole is C16H13N3S2.
What is the molecular weight of 3-[(3-Methylbenzyl)sulfanyl][1,2,4]triazolo[3,4-b][1,3]benzothiazole?
The molecular weight of 3-[(3-Methylbenzyl)sulfanyl][1,2,4]triazolo[3,4-b][1,3]benzothiazole is 311.06 g/mol.
Where can I buy 3-[(3-Methylbenzyl)sulfanyl][1,2,4]triazolo[3,4-b][1,3]benzothiazole?
You can request a quote for 3-[(3-Methylbenzyl)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-Methylbenzyl)sulfanyl][1,2,4]triazolo[3,4-b][1,3]benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3-Methylbenzyl)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.