3-(4-ethyl-5-methyl-3-thiophenyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione
TL;DR: 3-(4-ethyl-5-methyl-3-thiophenyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione (CAS 438236-52-3) is a chemical compound with molecular formula C16H17N3S2 and molecular weight 315.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-3-(4-ethyl-5-methylthiophen-3-yl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-benzyl-3-(4-ethyl-5-methylthiophen-3-yl)-1H-1,2,4-triazole-5-thione, 3-(4-ethyl-5-methyl-3-thiophenyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione, 4-benzyl-5-(4-ethyl-5-methyl-3-thienyl)-4H-1,2,4-triazole-3-thiol, 5-(4-ethyl-5-methyl(3-thienyl))-4-benzyl-1,2,4-triazole-3-thiol, 4-benzyl-3-(4-ethyl-5-methyl-3-thienyl)-1H-1,2,4-triazole-5-thione
| Molecular Formula | C16H17N3S2 |
|---|---|
| Molecular Weight | 315.09 g/mol |
| LogP | 4.58831 |
| Topological Polar Surface Area | 33.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.0864 |
| Heavy Atoms | 21 |
| Complexity | 796.544 |
Chemical Identifiers
| CAS Number | 438236-52-3 |
|---|---|
| SMILES | CCC1=C(SC=C1C2=NNC(=S)N2CC3=CC=CC=C3)C |
Product Overview
3-(4-ethyl-5-methyl-3-thiophenyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione (CAS 438236-52-3), with molecular formula C16H17N3S2 and molecular weight 315.09 g/mol. IUPAC: 4-benzyl-3-(4-ethyl-5-methylthiophen-3-yl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-(4-ethyl-5-methyl-3-thiophenyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione
Property Insights of 3-(4-ethyl-5-methyl-3-thiophenyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione
The XLogP value of 4.58831 indicates that 3-(4-ethyl-5-methyl-3-thiophenyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.61 Ų, 3-(4-ethyl-5-methyl-3-thiophenyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-ethyl-5-methyl-3-thiophenyl)-4-(phenylmethyl)-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 3-(4-ethyl-5-methyl-3-thiophenyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione?
The CAS number of 3-(4-ethyl-5-methyl-3-thiophenyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione is 438236-52-3.
What is the molecular formula of 3-(4-ethyl-5-methyl-3-thiophenyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione?
The molecular formula of 3-(4-ethyl-5-methyl-3-thiophenyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione is C16H17N3S2.
What is the molecular weight of 3-(4-ethyl-5-methyl-3-thiophenyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione?
The molecular weight of 3-(4-ethyl-5-methyl-3-thiophenyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione is 315.09 g/mol.
Where can I buy 3-(4-ethyl-5-methyl-3-thiophenyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione?
You can request a quote for 3-(4-ethyl-5-methyl-3-thiophenyl)-4-(phenylmethyl)-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 3-(4-ethyl-5-methyl-3-thiophenyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-ethyl-5-methyl-3-thiophenyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.