![5-(3-Methylbenzo[b]thiophen-2-yl)-1H-tetrazole structure](/static/products/951/951625-85-7.png)
5-(3-Methylbenzo[b]thiophen-2-yl)-1H-tetrazole
TL;DR: 5-(3-Methylbenzo[b]thiophen-2-yl)-1H-tetrazole (CAS 951625-85-7) is a chemical compound with molecular formula C10H8N4S and molecular weight 216.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-methyl-1-benzothiophen-2-yl)-2H-tetrazole
Also Known As: 5-(3-Methylbenzo[b]thiophen-2-yl)-1H-tetrazole, 3-METHYL-2-(1H-TETRAZOL-5YL) BENZOTHIOPHENE, 5-(3-methyl-1-benzothiophen-2-yl)-2H-tetrazole, 6346AC, 5-(3-Methyl-benzo[b]thiophen-2-yl)-1H-tetrazole
| Molecular Formula | C10H8N4S |
|---|---|
| Molecular Weight | 216.05 g/mol |
| LogP | 2.38982 |
| Topological Polar Surface Area | 54.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.04697 |
| Heavy Atoms | 15 |
| Complexity | 596.953 |
Chemical Identifiers
| CAS Number | 951625-85-7 |
|---|---|
| SMILES | CC1=C(SC2=CC=CC=C12)C3=NNN=N3 |
Product Overview
5-(3-Methylbenzo[b]thiophen-2-yl)-1H-tetrazole (CAS 951625-85-7), with molecular formula C10H8N4S and molecular weight 216.05 g/mol. IUPAC: 5-(3-methyl-1-benzothiophen-2-yl)-2H-tetrazole.
Chemical Property Profile of 5-(3-Methylbenzo[b]thiophen-2-yl)-1H-tetrazole
Property Insights of 5-(3-Methylbenzo[b]thiophen-2-yl)-1H-tetrazole
The XLogP value of 2.38982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-Methylbenzo[b]thiophen-2-yl)-1H-tetrazole. With a topological polar surface area (TPSA) of 54.46 Ų, 5-(3-Methylbenzo[b]thiophen-2-yl)-1H-tetrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3-Methylbenzo[b]thiophen-2-yl)-1H-tetrazole has 1 hydrogen bond donor(s) and 4 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-Methylbenzo[b]thiophen-2-yl)-1H-tetrazole?
The CAS number of 5-(3-Methylbenzo[b]thiophen-2-yl)-1H-tetrazole is 951625-85-7.
What is the molecular formula of 5-(3-Methylbenzo[b]thiophen-2-yl)-1H-tetrazole?
The molecular formula of 5-(3-Methylbenzo[b]thiophen-2-yl)-1H-tetrazole is C10H8N4S.
What is the molecular weight of 5-(3-Methylbenzo[b]thiophen-2-yl)-1H-tetrazole?
The molecular weight of 5-(3-Methylbenzo[b]thiophen-2-yl)-1H-tetrazole is 216.05 g/mol.
Where can I buy 5-(3-Methylbenzo[b]thiophen-2-yl)-1H-tetrazole?
You can request a quote for 5-(3-Methylbenzo[b]thiophen-2-yl)-1H-tetrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-Methylbenzo[b]thiophen-2-yl)-1H-tetrazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Methylbenzo[b]thiophen-2-yl)-1H-tetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.