3-Methylbenzo(b)thiophene-2-carboxaldehyde
TL;DR: 3-Methylbenzo(b)thiophene-2-carboxaldehyde (CAS 332052-66-1) is a chemical compound with molecular formula C10H8OS and molecular weight 176.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-benzothiophene-2-carbaldehyde
Also Known As: 3-Methylbenzo[b]thiophene-2-carboxaldehyde, 3-methylbenzo[b]thiophene-2-carbaldehyde, 3-Methyl-1-benzothiophene-2-carbaldehyde, 3-methylbenzo(b)thiophene-2-carboxaldehyde, 3-Methylthianaphthene-2-carboxaldehyde
| Molecular Formula | C10H8OS |
|---|---|
| Molecular Weight | 176.03 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.02959 |
| Heavy Atoms | 12 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 332052-66-1 |
|---|---|
| SMILES | CC1=C(SC2=CC=CC=C12)C=O |
| InChIKey | DRZGHNXLEQHVHB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methylbenzo(b)thiophene-2-carboxaldehyde (CAS 332052-66-1), with molecular formula C10H8OS and molecular weight 176.03 g/mol. IUPAC: 3-methyl-1-benzothiophene-2-carbaldehyde.
Chemical Property Profile of 3-Methylbenzo(b)thiophene-2-carboxaldehyde
Property Insights of 3-Methylbenzo(b)thiophene-2-carboxaldehyde
The XLogP value of 3.1 indicates that 3-Methylbenzo(b)thiophene-2-carboxaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.3 Ų, 3-Methylbenzo(b)thiophene-2-carboxaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylbenzo(b)thiophene-2-carboxaldehyde has 0 hydrogen bond donor(s) and 2 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-2-carboxaldehyde?
The CAS number of 3-Methylbenzo(b)thiophene-2-carboxaldehyde is 332052-66-1.
What is the molecular formula of 3-Methylbenzo(b)thiophene-2-carboxaldehyde?
The molecular formula of 3-Methylbenzo(b)thiophene-2-carboxaldehyde is C10H8OS.
What is the molecular weight of 3-Methylbenzo(b)thiophene-2-carboxaldehyde?
The molecular weight of 3-Methylbenzo(b)thiophene-2-carboxaldehyde is 176.03 g/mol.
Where can I buy 3-Methylbenzo(b)thiophene-2-carboxaldehyde?
You can request a quote for 3-Methylbenzo(b)thiophene-2-carboxaldehyde 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-2-carboxaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylbenzo(b)thiophene-2-carboxaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.