![5-Benzo[b]thiophen-3-yl-4-(3,5-dimethylphenyl)-1,2,4-triazole-3-thiol structure](/static/products/5886/588677-89-8.webp)
5-Benzo[b]thiophen-3-yl-4-(3,5-dimethylphenyl)-1,2,4-triazole-3-thiol
TL;DR: 5-Benzo[b]thiophen-3-yl-4-(3,5-dimethylphenyl)-1,2,4-triazole-3-thiol (CAS 588677-89-8) is a chemical compound with molecular formula C18H15N3S2 and molecular weight 337.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-benzothiophen-3-yl)-4-(3,5-dimethylphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 5-benzo[b]thiophen-3-yl-4-(3,5-dimethylphenyl)-1,2,4-triazole-3-thiol, 5-benzothiophen-3-yl-4-(3,5-dimethylphenyl)-2H-1,2,4-triazole-3-thione, 3-(1-benzothiophen-3-yl)-4-(3,5-dimethylphenyl)-1H-1,2,4-triazole-5-thione, 5-(1-benzothiophen-3-yl)-4-(3,5-dimethylphenyl)-4H-1,2,4-triazole-3-thiol, 3H-1,2,4-TRIAZOLE-3-THIONE, 5-BENZO[B]THIEN-3-YL-4-(3,5-DIMETHYLPHENYL)-2,4-DIHYDRO-
| Molecular Formula | C18H15N3S2 |
|---|---|
| Molecular Weight | 337.07 g/mol |
| LogP | 5.42843 |
| Topological Polar Surface Area | 33.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 337.07074 |
| Heavy Atoms | 23 |
| Complexity | 1049.0078 |
Chemical Identifiers
| CAS Number | 588677-89-8 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)N2C(=NNC2=S)C3=CSC4=CC=CC=C43)C |
Product Overview
5-Benzo[b]thiophen-3-yl-4-(3,5-dimethylphenyl)-1,2,4-triazole-3-thiol (CAS 588677-89-8), with molecular formula C18H15N3S2 and molecular weight 337.07 g/mol. IUPAC: 3-(1-benzothiophen-3-yl)-4-(3,5-dimethylphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-Benzo[b]thiophen-3-yl-4-(3,5-dimethylphenyl)-1,2,4-triazole-3-thiol
Property Insights of 5-Benzo[b]thiophen-3-yl-4-(3,5-dimethylphenyl)-1,2,4-triazole-3-thiol
The XLogP value of 5.42843 indicates that 5-Benzo[b]thiophen-3-yl-4-(3,5-dimethylphenyl)-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 33.61 Ų, 5-Benzo[b]thiophen-3-yl-4-(3,5-dimethylphenyl)-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Benzo[b]thiophen-3-yl-4-(3,5-dimethylphenyl)-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Benzo[b]thiophen-3-yl-4-(3,5-dimethylphenyl)-1,2,4-triazole-3-thiol?
The CAS number of 5-Benzo[b]thiophen-3-yl-4-(3,5-dimethylphenyl)-1,2,4-triazole-3-thiol is 588677-89-8.
What is the molecular formula of 5-Benzo[b]thiophen-3-yl-4-(3,5-dimethylphenyl)-1,2,4-triazole-3-thiol?
The molecular formula of 5-Benzo[b]thiophen-3-yl-4-(3,5-dimethylphenyl)-1,2,4-triazole-3-thiol is C18H15N3S2.
What is the molecular weight of 5-Benzo[b]thiophen-3-yl-4-(3,5-dimethylphenyl)-1,2,4-triazole-3-thiol?
The molecular weight of 5-Benzo[b]thiophen-3-yl-4-(3,5-dimethylphenyl)-1,2,4-triazole-3-thiol is 337.07 g/mol.
Where can I buy 5-Benzo[b]thiophen-3-yl-4-(3,5-dimethylphenyl)-1,2,4-triazole-3-thiol?
You can request a quote for 5-Benzo[b]thiophen-3-yl-4-(3,5-dimethylphenyl)-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 5-Benzo[b]thiophen-3-yl-4-(3,5-dimethylphenyl)-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzo[b]thiophen-3-yl-4-(3,5-dimethylphenyl)-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.