![4-Ethyl-5-(5-phenyl-tetrazol-2-ylmethyl)-4H-[1,2,4]triazole-3-thiol structure](/static/products/4360/436092-66-9.webp)
4-Ethyl-5-(5-phenyl-tetrazol-2-ylmethyl)-4H-[1,2,4]triazole-3-thiol
TL;DR: 4-Ethyl-5-(5-phenyl-tetrazol-2-ylmethyl)-4H-[1,2,4]triazole-3-thiol (CAS 436092-66-9) is a chemical compound with molecular formula C12H13N7S and molecular weight 287.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-3-[(5-phenyltetrazol-2-yl)methyl]-1H-1,2,4-triazole-5-thione
Also Known As: 4-Ethyl-5-(5-phenyl-tetrazol-2-ylmethyl)-4H-[1,2,4]triazole-3-thiol, BAS 04362391, 4-ethyl-3-[(5-phenyltetrazol-2-yl)methyl]-1H-1,2,4-triazole-5-thione, 4-ethyl-3-[(5-phenyl-2-tetrazolyl)methyl]-1H-1,2,4-triazole-5-thione, 4-Ethyl-2,4-dihydro-5-((5-phenyl-2H-tetrazol-2-yl)methyl)-3H-1,2,4-triazole-3-thione
| Molecular Formula | C12H13N7S |
|---|---|
| Molecular Weight | 287.10 g/mol |
| LogP | 1.66239 |
| Topological Polar Surface Area | 77.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.0953 |
| Heavy Atoms | 20 |
| Complexity | 755.46625 |
Chemical Identifiers
| CAS Number | 436092-66-9 |
|---|---|
| SMILES | CCN1C(=NNC1=S)CN2N=C(N=N2)C3=CC=CC=C3 |
Product Overview
4-Ethyl-5-(5-phenyl-tetrazol-2-ylmethyl)-4H-[1,2,4]triazole-3-thiol (CAS 436092-66-9), with molecular formula C12H13N7S and molecular weight 287.10 g/mol. IUPAC: 4-ethyl-3-[(5-phenyltetrazol-2-yl)methyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-Ethyl-5-(5-phenyl-tetrazol-2-ylmethyl)-4H-[1,2,4]triazole-3-thiol
Property Insights of 4-Ethyl-5-(5-phenyl-tetrazol-2-ylmethyl)-4H-[1,2,4]triazole-3-thiol
The XLogP value of 1.66239 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethyl-5-(5-phenyl-tetrazol-2-ylmethyl)-4H-[1,2,4]triazole-3-thiol. The TPSA of 77.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Ethyl-5-(5-phenyl-tetrazol-2-ylmethyl)-4H-[1,2,4]triazole-3-thiol. Following Lipinski's Rule of Five, 4-Ethyl-5-(5-phenyl-tetrazol-2-ylmethyl)-4H-[1,2,4]triazole-3-thiol has 1 hydrogen bond donor(s) and 5 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 4-Ethyl-5-(5-phenyl-tetrazol-2-ylmethyl)-4H-[1,2,4]triazole-3-thiol?
The CAS number of 4-Ethyl-5-(5-phenyl-tetrazol-2-ylmethyl)-4H-[1,2,4]triazole-3-thiol is 436092-66-9.
What is the molecular formula of 4-Ethyl-5-(5-phenyl-tetrazol-2-ylmethyl)-4H-[1,2,4]triazole-3-thiol?
The molecular formula of 4-Ethyl-5-(5-phenyl-tetrazol-2-ylmethyl)-4H-[1,2,4]triazole-3-thiol is C12H13N7S.
What is the molecular weight of 4-Ethyl-5-(5-phenyl-tetrazol-2-ylmethyl)-4H-[1,2,4]triazole-3-thiol?
The molecular weight of 4-Ethyl-5-(5-phenyl-tetrazol-2-ylmethyl)-4H-[1,2,4]triazole-3-thiol is 287.10 g/mol.
Where can I buy 4-Ethyl-5-(5-phenyl-tetrazol-2-ylmethyl)-4H-[1,2,4]triazole-3-thiol?
You can request a quote for 4-Ethyl-5-(5-phenyl-tetrazol-2-ylmethyl)-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 4-Ethyl-5-(5-phenyl-tetrazol-2-ylmethyl)-4H-[1,2,4]triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethyl-5-(5-phenyl-tetrazol-2-ylmethyl)-4H-[1,2,4]triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.