苯并噻吩1,1-二氧化物
TL;DR: 苯并噻吩1,1-二氧化物 (CAS 825-44-5) is a chemical compound with molecular formula C8H6O2S and molecular weight 166.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯并噻吩1,1-二氧化物
1-benzothiophene 1,1-dioxide
Also Known As: Benzo[b]thiophene 1,1-dioxide, Benzothiophene 1,1-dioxide, 1-Benzothiophene 1,1-dioxide, THIANAPHTHENE-1,1-DIOXIDE, Thianaphthene 1,1-dioxide
| Molecular Formula | C8H6O2S |
|---|---|
| Molecular Weight | 166.01 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 166.00885 |
| Heavy Atoms | 11 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 825-44-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CS2(=O)=O |
| InChIKey | FRJNKYGTHPUSJR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯并噻吩1,1-二氧化物 (CAS 825-44-5), with molecular formula C8H6O2S and molecular weight 166.01 g/mol. IUPAC: 1-benzothiophene 1,1-dioxide.
Chemical Property Profile of 苯并噻吩1,1-二氧化物
Property Insights of 苯并噻吩1,1-二氧化物
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯并噻吩1,1-二氧化物. With a topological polar surface area (TPSA) of 42.5 Ų, 苯并噻吩1,1-二氧化物 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯并噻吩1,1-二氧化物 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 苯并噻吩1,1-二氧化物?
The CAS number of 苯并噻吩1,1-二氧化物 is 825-44-5.
What is the molecular formula of 苯并噻吩1,1-二氧化物?
The molecular formula of 苯并噻吩1,1-二氧化物 is C8H6O2S.
What is the molecular weight of 苯并噻吩1,1-二氧化物?
The molecular weight of 苯并噻吩1,1-二氧化物 is 166.01 g/mol.
Where can I buy 苯并噻吩1,1-二氧化物?
You can request a quote for 苯并噻吩1,1-二氧化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯并噻吩1,1-二氧化物?
Yes, KEHONG BIO provides custom synthesis services for 苯并噻吩1,1-二氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.