![Benzo[b]thiophen-2(3H)-one structure](/static/products/4963/496-31-1.webp)
Benzo[b]thiophen-2(3H)-one
TL;DR: Benzo[b]thiophen-2(3H)-one (CAS 496-31-1) is a chemical compound with molecular formula C8H6OS and molecular weight 150.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3H-1-benzothiophen-2-one
Also Known As: Benzo[b]thiophen-2(3H)-one, 3H-1-benzothiophen-2-one, benzothiophene-2-one, benzthiophene-2-one, 2-Oxo-1-thiaindan
| Molecular Formula | C8H6OS |
|---|---|
| Molecular Weight | 150.01 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 150.01393 |
| Heavy Atoms | 10 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 496-31-1 |
|---|---|
| SMILES | C1C2=CC=CC=C2SC1=O |
| InChIKey | ARTAFUJPRUWRJK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzo[b]thiophen-2(3H)-one (CAS 496-31-1), with molecular formula C8H6OS and molecular weight 150.01 g/mol. IUPAC: 3H-1-benzothiophen-2-one.
Chemical Property Profile of Benzo[b]thiophen-2(3H)-one
Property Insights of Benzo[b]thiophen-2(3H)-one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo[b]thiophen-2(3H)-one. With a topological polar surface area (TPSA) of 42.4 Ų, Benzo[b]thiophen-2(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo[b]thiophen-2(3H)-one 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]thiophen-2(3H)-one?
The CAS number of Benzo[b]thiophen-2(3H)-one is 496-31-1.
What is the molecular formula of Benzo[b]thiophen-2(3H)-one?
The molecular formula of Benzo[b]thiophen-2(3H)-one is C8H6OS.
What is the molecular weight of Benzo[b]thiophen-2(3H)-one?
The molecular weight of Benzo[b]thiophen-2(3H)-one is 150.01 g/mol.
Where can I buy Benzo[b]thiophen-2(3H)-one?
You can request a quote for Benzo[b]thiophen-2(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo[b]thiophen-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for Benzo[b]thiophen-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.