![5-(3,6-Dichlorobenzo[b]thiophen-2-yl)-4-methyl-1,2,4-triazole-3-thiol structure](/static/products/5886/588673-06-7.webp)
5-(3,6-Dichlorobenzo[b]thiophen-2-yl)-4-methyl-1,2,4-triazole-3-thiol
TL;DR: 5-(3,6-Dichlorobenzo[b]thiophen-2-yl)-4-methyl-1,2,4-triazole-3-thiol (CAS 588673-06-7) is a chemical compound with molecular formula C11H7Cl2N3S2 and molecular weight 314.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,6-dichloro-1-benzothiophen-2-yl)-4-methyl-1H-1,2,4-triazole-5-thione
Also Known As: 3H-1,2,4-Triazole-3-thione,5-(3,6-dichlorobenzo[b]thien-2-yl)-2,4-dihydro-4-methyl-(9CI), 5-(3,6-dichlorobenzo[b]thiophen-2-yl)-4-methyl-1,2,4-triazole-3-thiol, 5-(3,6-dichlorobenzothiophen-2-yl)-4-methyl-2H-1,2,4-triazole-3-thione, 3-(3,6-dichloro-1-benzothiophen-2-yl)-4-methyl-1H-1,2,4-triazole-5-thione, 5-(3,6-dichloro-1-benzothiophen-2-yl)-4-methyl-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C11H7Cl2N3S2 |
|---|---|
| Molecular Weight | 314.95 g/mol |
| LogP | 4.66619 |
| Topological Polar Surface Area | 33.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 314.94583 |
| Heavy Atoms | 18 |
| Complexity | 800.3212 |
Chemical Identifiers
| CAS Number | 588673-06-7 |
|---|---|
| SMILES | CN1C(=NNC1=S)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl |
Product Overview
5-(3,6-Dichlorobenzo[b]thiophen-2-yl)-4-methyl-1,2,4-triazole-3-thiol (CAS 588673-06-7), with molecular formula C11H7Cl2N3S2 and molecular weight 314.95 g/mol. IUPAC: 3-(3,6-dichloro-1-benzothiophen-2-yl)-4-methyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(3,6-Dichlorobenzo[b]thiophen-2-yl)-4-methyl-1,2,4-triazole-3-thiol
Property Insights of 5-(3,6-Dichlorobenzo[b]thiophen-2-yl)-4-methyl-1,2,4-triazole-3-thiol
The XLogP value of 4.66619 indicates that 5-(3,6-Dichlorobenzo[b]thiophen-2-yl)-4-methyl-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-(3,6-Dichlorobenzo[b]thiophen-2-yl)-4-methyl-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3,6-Dichlorobenzo[b]thiophen-2-yl)-4-methyl-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 5-(3,6-Dichlorobenzo[b]thiophen-2-yl)-4-methyl-1,2,4-triazole-3-thiol?
The CAS number of 5-(3,6-Dichlorobenzo[b]thiophen-2-yl)-4-methyl-1,2,4-triazole-3-thiol is 588673-06-7.
What is the molecular formula of 5-(3,6-Dichlorobenzo[b]thiophen-2-yl)-4-methyl-1,2,4-triazole-3-thiol?
The molecular formula of 5-(3,6-Dichlorobenzo[b]thiophen-2-yl)-4-methyl-1,2,4-triazole-3-thiol is C11H7Cl2N3S2.
What is the molecular weight of 5-(3,6-Dichlorobenzo[b]thiophen-2-yl)-4-methyl-1,2,4-triazole-3-thiol?
The molecular weight of 5-(3,6-Dichlorobenzo[b]thiophen-2-yl)-4-methyl-1,2,4-triazole-3-thiol is 314.95 g/mol.
Where can I buy 5-(3,6-Dichlorobenzo[b]thiophen-2-yl)-4-methyl-1,2,4-triazole-3-thiol?
You can request a quote for 5-(3,6-Dichlorobenzo[b]thiophen-2-yl)-4-methyl-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-(3,6-Dichlorobenzo[b]thiophen-2-yl)-4-methyl-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(3,6-Dichlorobenzo[b]thiophen-2-yl)-4-methyl-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.