![1-Benzothiazol-2-yl-5-m-tolyl-1H-[1,2,4]triazole-3-thiol structure](/static/products/443/443672-77-3.png)
1-Benzothiazol-2-yl-5-m-tolyl-1H-[1,2,4]triazole-3-thiol
TL;DR: 1-Benzothiazol-2-yl-5-m-tolyl-1H-[1,2,4]triazole-3-thiol (CAS 443672-77-3) is a chemical compound with molecular formula C16H12N4S2 and molecular weight 324.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-yl)-3-(3-methylphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 1-Benzothiazol-2-yl-5-m-tolyl-1H-[1,2,4]triazole-3-thiol, 1-(benzo[d]thiazol-2-yl)-5-(m-tolyl)-1H-1,2,4-triazole-3-thiol, 1-(1,3-benzothiazol-2-yl)-5-(3-methylphenyl)-1,2-dihydro-3H-1,2,4-triazole-3-thione, 2-(1,3-benzothiazol-2-yl)-3-(3-methylphenyl)-1H-1,2,4-triazole-5-thione
| Molecular Formula | C16H12N4S2 |
|---|---|
| Molecular Weight | 324.05 g/mol |
| LogP | 4.51501 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 324.05035 |
| Heavy Atoms | 22 |
| Complexity | 992.7416 |
Chemical Identifiers
| CAS Number | 443672-77-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=NC(=S)NN2C3=NC4=CC=CC=C4S3 |
Product Overview
1-Benzothiazol-2-yl-5-m-tolyl-1H-[1,2,4]triazole-3-thiol (CAS 443672-77-3), with molecular formula C16H12N4S2 and molecular weight 324.05 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-3-(3-methylphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 1-Benzothiazol-2-yl-5-m-tolyl-1H-[1,2,4]triazole-3-thiol
Property Insights of 1-Benzothiazol-2-yl-5-m-tolyl-1H-[1,2,4]triazole-3-thiol
The XLogP value of 4.51501 indicates that 1-Benzothiazol-2-yl-5-m-tolyl-1H-[1,2,4]triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 1-Benzothiazol-2-yl-5-m-tolyl-1H-[1,2,4]triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzothiazol-2-yl-5-m-tolyl-1H-[1,2,4]triazole-3-thiol has 1 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 1-Benzothiazol-2-yl-5-m-tolyl-1H-[1,2,4]triazole-3-thiol?
The CAS number of 1-Benzothiazol-2-yl-5-m-tolyl-1H-[1,2,4]triazole-3-thiol is 443672-77-3.
What is the molecular formula of 1-Benzothiazol-2-yl-5-m-tolyl-1H-[1,2,4]triazole-3-thiol?
The molecular formula of 1-Benzothiazol-2-yl-5-m-tolyl-1H-[1,2,4]triazole-3-thiol is C16H12N4S2.
What is the molecular weight of 1-Benzothiazol-2-yl-5-m-tolyl-1H-[1,2,4]triazole-3-thiol?
The molecular weight of 1-Benzothiazol-2-yl-5-m-tolyl-1H-[1,2,4]triazole-3-thiol is 324.05 g/mol.
Where can I buy 1-Benzothiazol-2-yl-5-m-tolyl-1H-[1,2,4]triazole-3-thiol?
You can request a quote for 1-Benzothiazol-2-yl-5-m-tolyl-1H-[1,2,4]triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzothiazol-2-yl-5-m-tolyl-1H-[1,2,4]triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzothiazol-2-yl-5-m-tolyl-1H-[1,2,4]triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.