Benzo(c)thiophene-1,3-dione
TL;DR: Benzo(c)thiophene-1,3-dione (CAS 5698-59-9) 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.
2-benzothiophene-1,3-dione
Also Known As: 2-benzothiophene-1,3-dione, Benzo[c]thiophene-1,3-dione, Phthalic thioanhydride, Thiophthalic anhydride, phthalyl sulfide
| 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 | 190.0 |
Chemical Identifiers
| CAS Number | 5698-59-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)SC2=O |
| InChIKey | LYWRIGIFLAVWAF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzo(c)thiophene-1,3-dione (CAS 5698-59-9), with molecular formula C8H4O2S and molecular weight 163.99 g/mol. IUPAC: 2-benzothiophene-1,3-dione.
Chemical Property Profile of Benzo(c)thiophene-1,3-dione
Property Insights of Benzo(c)thiophene-1,3-dione
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo(c)thiophene-1,3-dione. With a topological polar surface area (TPSA) of 59.4 Ų, Benzo(c)thiophene-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(c)thiophene-1,3-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(c)thiophene-1,3-dione?
The CAS number of Benzo(c)thiophene-1,3-dione is 5698-59-9.
What is the molecular formula of Benzo(c)thiophene-1,3-dione?
The molecular formula of Benzo(c)thiophene-1,3-dione is C8H4O2S.
What is the molecular weight of Benzo(c)thiophene-1,3-dione?
The molecular weight of Benzo(c)thiophene-1,3-dione is 163.99 g/mol.
Where can I buy Benzo(c)thiophene-1,3-dione?
You can request a quote for Benzo(c)thiophene-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo(c)thiophene-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for Benzo(c)thiophene-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.