1-Benzothiophene-3-carbaldehyde
TL;DR: 1-Benzothiophene-3-carbaldehyde (CAS 64860-34-0) 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-3-carbaldehyde
Also Known As: benzo[b]thiophene-3-carbaldehyde, 1-benzothiophene-3-carbaldehyde, Benzo[b]thiophene-3-carboxaldehyde, Thianaphthene-3-carboxaldehyde, benzothiophene-3-carbaldehyde
| Molecular Formula | C9H6OS |
|---|---|
| Molecular Weight | 162.01 g/mol |
| LogP | 2.6 |
| 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 | 64860-34-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CS2)C=O |
| InChIKey | WDJLPQCBTBZTRH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Benzothiophene-3-carbaldehyde (CAS 64860-34-0), with molecular formula C9H6OS and molecular weight 162.01 g/mol. IUPAC: 1-benzothiophene-3-carbaldehyde.
Chemical Property Profile of 1-Benzothiophene-3-carbaldehyde
Property Insights of 1-Benzothiophene-3-carbaldehyde
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzothiophene-3-carbaldehyde. With a topological polar surface area (TPSA) of 45.3 Ų, 1-Benzothiophene-3-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzothiophene-3-carbaldehyde 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 1-Benzothiophene-3-carbaldehyde?
The CAS number of 1-Benzothiophene-3-carbaldehyde is 64860-34-0.
What is the molecular formula of 1-Benzothiophene-3-carbaldehyde?
The molecular formula of 1-Benzothiophene-3-carbaldehyde is C9H6OS.
What is the molecular weight of 1-Benzothiophene-3-carbaldehyde?
The molecular weight of 1-Benzothiophene-3-carbaldehyde is 162.01 g/mol.
Where can I buy 1-Benzothiophene-3-carbaldehyde?
You can request a quote for 1-Benzothiophene-3-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzothiophene-3-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzothiophene-3-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.