4-ethyl-5-(5-methylthien-3-yl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-ethyl-5-(5-methylthien-3-yl)-4H-1,2,4-triazole-3-thiol (CAS 876902-80-6) is a chemical compound with molecular formula C9H11N3S2 and molecular weight 225.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-3-(5-methylthiophen-3-yl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-ethyl-5-(5-methylthien-3-yl)-4H-1,2,4-triazole-3-thiol, 4-ethyl-5-(5-methylthiophen-3-yl)-4H-1,2,4-triazole-3-thiol, 4-ethyl-5-(5-methyl-3-thienyl)-4H-1,2,4-triazole-3-thiol, 4-ethyl-3-(5-methylthiophen-3-yl)-1H-1,2,4-triazole-5-thione, (6-Imidazol-1-yl-pyridazin-3-ylamino)-acetic acid
| Molecular Formula | C9H11N3S2 |
|---|---|
| Molecular Weight | 225.04 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 88.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.03944 |
| Heavy Atoms | 14 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 876902-80-6 |
|---|---|
| SMILES | CCN1C(=NNC1=S)C2=CSC(=C2)C |
| InChIKey | YPRAIHQGMMEDAG-UHFFFAOYSA-N |
Product Overview
4-ethyl-5-(5-methylthien-3-yl)-4H-1,2,4-triazole-3-thiol (CAS 876902-80-6), with molecular formula C9H11N3S2 and molecular weight 225.04 g/mol. IUPAC: 4-ethyl-3-(5-methylthiophen-3-yl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-ethyl-5-(5-methylthien-3-yl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-ethyl-5-(5-methylthien-3-yl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-ethyl-5-(5-methylthien-3-yl)-4H-1,2,4-triazole-3-thiol. The TPSA of 88.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-ethyl-5-(5-methylthien-3-yl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-ethyl-5-(5-methylthien-3-yl)-4H-1,2,4-triazole-3-thiol has 1 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 4-ethyl-5-(5-methylthien-3-yl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-ethyl-5-(5-methylthien-3-yl)-4H-1,2,4-triazole-3-thiol is 876902-80-6.
What is the molecular formula of 4-ethyl-5-(5-methylthien-3-yl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-ethyl-5-(5-methylthien-3-yl)-4H-1,2,4-triazole-3-thiol is C9H11N3S2.
What is the molecular weight of 4-ethyl-5-(5-methylthien-3-yl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-ethyl-5-(5-methylthien-3-yl)-4H-1,2,4-triazole-3-thiol is 225.04 g/mol.
Where can I buy 4-ethyl-5-(5-methylthien-3-yl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-ethyl-5-(5-methylthien-3-yl)-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-methylthien-3-yl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-ethyl-5-(5-methylthien-3-yl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.