4-(2,4-dimethylphenyl)-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione
TL;DR: 4-(2,4-dimethylphenyl)-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione (CAS 523990-75-2) is a chemical compound with molecular formula C15H15N3S2 and molecular weight 301.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,4-dimethylphenyl)-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione
Also Known As: AJ-292/41695017, 4-(2,4-dimethylphenyl)-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione, 4-(2,4-dimethylphenyl)-5-(thien-2-ylmethyl)-4H-1,2,4-triazole-3-thiol, 4-(2,4-dimethylphenyl)-5-(2-thienylmethyl)-4H-1,2,4-triazole-3-thiol, 4-(2,4-dimethylphenyl)-5-(thiophen-2-ylmethyl)-2H-1,2,4-triazole-3-thione
| Molecular Formula | C15H15N3S2 |
|---|---|
| Molecular Weight | 301.07 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 88.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.07074 |
| Heavy Atoms | 20 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 523990-75-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N2C(=NNC2=S)CC3=CC=CS3)C |
| InChIKey | AFRSFEXFOGGVHN-UHFFFAOYSA-N |
Product Overview
4-(2,4-dimethylphenyl)-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione (CAS 523990-75-2), with molecular formula C15H15N3S2 and molecular weight 301.07 g/mol. IUPAC: 4-(2,4-dimethylphenyl)-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(2,4-dimethylphenyl)-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione
Property Insights of 4-(2,4-dimethylphenyl)-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione
The XLogP value of 3.6 indicates that 4-(2,4-dimethylphenyl)-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,4-dimethylphenyl)-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 4-(2,4-dimethylphenyl)-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione 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-(2,4-dimethylphenyl)-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione?
The CAS number of 4-(2,4-dimethylphenyl)-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione is 523990-75-2.
What is the molecular formula of 4-(2,4-dimethylphenyl)-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione?
The molecular formula of 4-(2,4-dimethylphenyl)-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione is C15H15N3S2.
What is the molecular weight of 4-(2,4-dimethylphenyl)-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione?
The molecular weight of 4-(2,4-dimethylphenyl)-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione is 301.07 g/mol.
Where can I buy 4-(2,4-dimethylphenyl)-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione?
You can request a quote for 4-(2,4-dimethylphenyl)-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,4-dimethylphenyl)-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,4-dimethylphenyl)-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.