Benzo(b)thiophene-6-carboxaldehyde
TL;DR: Benzo(b)thiophene-6-carboxaldehyde (CAS 6386-80-7) is a chemical compound with molecular formula C9H6OS and molecular weight 162.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzothiophene-6-carbaldehyde
Also Known As: Benzo[b]thiophene-6-carbaldehyde, 1-benzothiophene-6-carbaldehyde, benzothiophene-6-carbaldehyde, Benzo[b]thiophene-6-carboxaldehyde, 6-formylbenzo(b)thiophene
| Molecular Formula | C9H6OS |
|---|---|
| Molecular Weight | 162.01 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 162.01393 |
| Heavy Atoms | 11 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 6386-80-7 |
|---|---|
| SMILES | C1=CC(=CC2=C1C=CS2)C=O |
| InChIKey | HOPOWIYNQUFRTR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzo(b)thiophene-6-carboxaldehyde (CAS 6386-80-7), with molecular formula C9H6OS and molecular weight 162.01 g/mol. IUPAC: 1-benzothiophene-6-carbaldehyde.
Chemical Property Profile of Benzo(b)thiophene-6-carboxaldehyde
Property Insights of Benzo(b)thiophene-6-carboxaldehyde
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo(b)thiophene-6-carboxaldehyde. With a topological polar surface area (TPSA) of 45.3 Ų, Benzo(b)thiophene-6-carboxaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(b)thiophene-6-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 Benzo(b)thiophene-6-carboxaldehyde?
The CAS number of Benzo(b)thiophene-6-carboxaldehyde is 6386-80-7.
What is the molecular formula of Benzo(b)thiophene-6-carboxaldehyde?
The molecular formula of Benzo(b)thiophene-6-carboxaldehyde is C9H6OS.
What is the molecular weight of Benzo(b)thiophene-6-carboxaldehyde?
The molecular weight of Benzo(b)thiophene-6-carboxaldehyde is 162.01 g/mol.
Where can I buy Benzo(b)thiophene-6-carboxaldehyde?
You can request a quote for Benzo(b)thiophene-6-carboxaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo(b)thiophene-6-carboxaldehyde?
Yes, KEHONG BIO provides custom synthesis services for Benzo(b)thiophene-6-carboxaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.