4-(2,5-dimethoxyphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-(2,5-dimethoxyphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole-3-thiol (CAS 672341-07-0) is a chemical compound with molecular formula C15H15N3O2S2 and molecular weight 333.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,5-dimethoxyphenyl)-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione
Also Known As: BAS 07778967, 4-(2,5-dimethoxyphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole-3-thiol, A3334/0141616, 4-(2,5-Dimethoxy-phenyl)-5-thiophen-2-ylmethyl-4H-[1,2,4]triazole-3-thiol, 4-(2,5-dimethoxyphenyl)-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione
| Molecular Formula | C15H15N3O2S2 |
|---|---|
| Molecular Weight | 333.06 g/mol |
| LogP | 3.59939 |
| Topological Polar Surface Area | 52.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.06058 |
| Heavy Atoms | 22 |
| Complexity | 821.6827 |
Chemical Identifiers
| CAS Number | 672341-07-0 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)N2C(=NNC2=S)CC3=CC=CS3 |
Product Overview
4-(2,5-dimethoxyphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole-3-thiol (CAS 672341-07-0), with molecular formula C15H15N3O2S2 and molecular weight 333.06 g/mol. IUPAC: 4-(2,5-dimethoxyphenyl)-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(2,5-dimethoxyphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-(2,5-dimethoxyphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.59939 indicates that 4-(2,5-dimethoxyphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.07 Ų, 4-(2,5-dimethoxyphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2,5-dimethoxyphenyl)-5-(thiophen-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-(2,5-dimethoxyphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-(2,5-dimethoxyphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole-3-thiol is 672341-07-0.
What is the molecular formula of 4-(2,5-dimethoxyphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-(2,5-dimethoxyphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole-3-thiol is C15H15N3O2S2.
What is the molecular weight of 4-(2,5-dimethoxyphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-(2,5-dimethoxyphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole-3-thiol is 333.06 g/mol.
Where can I buy 4-(2,5-dimethoxyphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-(2,5-dimethoxyphenyl)-5-(thiophen-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-(2,5-dimethoxyphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,5-dimethoxyphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.