Benzo(b)thiophene-2,3-dione
TL;DR: Benzo(b)thiophene-2,3-dione (CAS 493-57-2) is a chemical compound with molecular formula C8H4O2S and molecular weight 163.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzothiophene-2,3-dione
Also Known As: Benzo[b]thiophene-2,3-dione, Thionaphthenquinone, Thioisatin, Thianaphthenequinone, 1-Benzothiophene-2,3-dione
| Molecular Formula | C8H4O2S |
|---|---|
| Molecular Weight | 163.99 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 163.9932 |
| Heavy Atoms | 11 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 493-57-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C(=O)S2 |
| InChIKey | MHESOLAAORBNPM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzo(b)thiophene-2,3-dione (CAS 493-57-2), with molecular formula C8H4O2S and molecular weight 163.99 g/mol. IUPAC: 1-benzothiophene-2,3-dione.
Chemical Property Profile of Benzo(b)thiophene-2,3-dione
Property Insights of Benzo(b)thiophene-2,3-dione
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo(b)thiophene-2,3-dione. With a topological polar surface area (TPSA) of 59.4 Ų, Benzo(b)thiophene-2,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(b)thiophene-2,3-dione has 0 hydrogen bond donor(s) and 3 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-2,3-dione?
The CAS number of Benzo(b)thiophene-2,3-dione is 493-57-2.
What is the molecular formula of Benzo(b)thiophene-2,3-dione?
The molecular formula of Benzo(b)thiophene-2,3-dione is C8H4O2S.
What is the molecular weight of Benzo(b)thiophene-2,3-dione?
The molecular weight of Benzo(b)thiophene-2,3-dione is 163.99 g/mol.
Where can I buy Benzo(b)thiophene-2,3-dione?
You can request a quote for Benzo(b)thiophene-2,3-dione 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-2,3-dione?
Yes, KEHONG BIO provides custom synthesis services for Benzo(b)thiophene-2,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.