![3-Methylbenzo[b]thiophene 1-oxide structure](/static/products/5150/51500-43-7.webp)
3-Methylbenzo[b]thiophene 1-oxide
TL;DR: 3-Methylbenzo[b]thiophene 1-oxide (CAS 51500-43-7) is a chemical compound with molecular formula C9H8OS and molecular weight 164.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-benzothiophene 1-oxide
Also Known As: 3-Methylbenzo[b]thiophene 1-oxide, 3-methylbenzothiophene S-oxide, 3-methyl-1-benzothiophene 1-oxide, 3-Methylbenzo(b)thiophene, 1-oxide, 3-Methyl-1H-1-benzothiophen-1-one
| Molecular Formula | C9H8OS |
|---|---|
| Molecular Weight | 164.03 g/mol |
| LogP | 2.1686 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 164.02959 |
| Heavy Atoms | 11 |
| Complexity | 352.3353 |
Chemical Identifiers
| CAS Number | 51500-43-7 |
|---|---|
| SMILES | CC1=CS(=O)C2=CC=CC=C12 |
Product Overview
3-Methylbenzo[b]thiophene 1-oxide (CAS 51500-43-7), with molecular formula C9H8OS and molecular weight 164.03 g/mol. IUPAC: 3-methyl-1-benzothiophene 1-oxide.
Chemical Property Profile of 3-Methylbenzo[b]thiophene 1-oxide
Property Insights of 3-Methylbenzo[b]thiophene 1-oxide
The XLogP value of 2.1686 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylbenzo[b]thiophene 1-oxide. With a topological polar surface area (TPSA) of 17.07 Ų, 3-Methylbenzo[b]thiophene 1-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylbenzo[b]thiophene 1-oxide has 0 hydrogen bond donor(s) and 1 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-Methylbenzo[b]thiophene 1-oxide?
The CAS number of 3-Methylbenzo[b]thiophene 1-oxide is 51500-43-7.
What is the molecular formula of 3-Methylbenzo[b]thiophene 1-oxide?
The molecular formula of 3-Methylbenzo[b]thiophene 1-oxide is C9H8OS.
What is the molecular weight of 3-Methylbenzo[b]thiophene 1-oxide?
The molecular weight of 3-Methylbenzo[b]thiophene 1-oxide is 164.03 g/mol.
Where can I buy 3-Methylbenzo[b]thiophene 1-oxide?
You can request a quote for 3-Methylbenzo[b]thiophene 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylbenzo[b]thiophene 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylbenzo[b]thiophene 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.