![5-[2-(1H-Benzoimidazol-2-yl)-ethyl]-4-methyl-4H-[1,2,4]triazole-3-thiol structure](/static/products/4360/436089-85-9.webp)
5-[2-(1H-Benzoimidazol-2-yl)-ethyl]-4-methyl-4H-[1,2,4]triazole-3-thiol
TL;DR: 5-[2-(1H-Benzoimidazol-2-yl)-ethyl]-4-methyl-4H-[1,2,4]triazole-3-thiol (CAS 436089-85-9) is a chemical compound with molecular formula C12H13N5S and molecular weight 259.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(1H-benzimidazol-2-yl)ethyl]-4-methyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-[2-(1H-Benzoimidazol-2-yl)-ethyl]-4-methyl-4H-[1,2,4]triazole-3-thiol, ASN 02563159, N-(3-aminophenyl)-4-fluorobenzenesulfonamide, 3-[2-(1H-benzimidazol-2-yl)ethyl]-4-methyl-1H-1,2,4-triazole-5-thione, 5-(2-(1h-benzo[d]imidazol-2-yl)ethyl)-4-methyl-4h-1,2,4-triazole-3-thiol
| Molecular Formula | C12H13N5S |
|---|---|
| Molecular Weight | 259.09 g/mol |
| LogP | 2.13919 |
| Topological Polar Surface Area | 62.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.08917 |
| Heavy Atoms | 18 |
| Complexity | 703.0937 |
Chemical Identifiers
| CAS Number | 436089-85-9 |
|---|---|
| SMILES | CN1C(=NNC1=S)CCC2=NC3=CC=CC=C3N2 |
Product Overview
5-[2-(1H-Benzoimidazol-2-yl)-ethyl]-4-methyl-4H-[1,2,4]triazole-3-thiol (CAS 436089-85-9), with molecular formula C12H13N5S and molecular weight 259.09 g/mol. IUPAC: 3-[2-(1H-benzimidazol-2-yl)ethyl]-4-methyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-[2-(1H-Benzoimidazol-2-yl)-ethyl]-4-methyl-4H-[1,2,4]triazole-3-thiol
Property Insights of 5-[2-(1H-Benzoimidazol-2-yl)-ethyl]-4-methyl-4H-[1,2,4]triazole-3-thiol
The XLogP value of 2.13919 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[2-(1H-Benzoimidazol-2-yl)-ethyl]-4-methyl-4H-[1,2,4]triazole-3-thiol. The TPSA of 62.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[2-(1H-Benzoimidazol-2-yl)-ethyl]-4-methyl-4H-[1,2,4]triazole-3-thiol. Following Lipinski's Rule of Five, 5-[2-(1H-Benzoimidazol-2-yl)-ethyl]-4-methyl-4H-[1,2,4]triazole-3-thiol has 2 hydrogen bond donor(s) and 3 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 5-[2-(1H-Benzoimidazol-2-yl)-ethyl]-4-methyl-4H-[1,2,4]triazole-3-thiol?
The CAS number of 5-[2-(1H-Benzoimidazol-2-yl)-ethyl]-4-methyl-4H-[1,2,4]triazole-3-thiol is 436089-85-9.
What is the molecular formula of 5-[2-(1H-Benzoimidazol-2-yl)-ethyl]-4-methyl-4H-[1,2,4]triazole-3-thiol?
The molecular formula of 5-[2-(1H-Benzoimidazol-2-yl)-ethyl]-4-methyl-4H-[1,2,4]triazole-3-thiol is C12H13N5S.
What is the molecular weight of 5-[2-(1H-Benzoimidazol-2-yl)-ethyl]-4-methyl-4H-[1,2,4]triazole-3-thiol?
The molecular weight of 5-[2-(1H-Benzoimidazol-2-yl)-ethyl]-4-methyl-4H-[1,2,4]triazole-3-thiol is 259.09 g/mol.
Where can I buy 5-[2-(1H-Benzoimidazol-2-yl)-ethyl]-4-methyl-4H-[1,2,4]triazole-3-thiol?
You can request a quote for 5-[2-(1H-Benzoimidazol-2-yl)-ethyl]-4-methyl-4H-[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 5-[2-(1H-Benzoimidazol-2-yl)-ethyl]-4-methyl-4H-[1,2,4]triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-[2-(1H-Benzoimidazol-2-yl)-ethyl]-4-methyl-4H-[1,2,4]triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.