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苯并[b]噻吩-3(2H)-酮1,1-二氧化物
TL;DR: 苯并[b]噻吩-3(2H)-酮1,1-二氧化物 (CAS 1127-35-1) is a chemical compound with molecular formula C8H6O3S and molecular weight 182.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯并[b]噻吩-3(2H)-酮1,1-二氧化物
1,1-dioxo-1-benzothiophen-3-one
Also Known As: Benzo[b]thiophene-3(2H)-one 1,1-dioxide, Benzo[b]thiophen-3(2H)-one 1,1-dioxide, 1,1-dioxo-1-benzothiophen-3-one, 1,1-dioxobenzothiophen-3-one, dioxobenzothiophen-3-one
| Molecular Formula | C8H6O3S |
|---|---|
| Molecular Weight | 182.00 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 182.00377 |
| Heavy Atoms | 12 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 1127-35-1 |
|---|---|
| SMILES | C1C(=O)C2=CC=CC=C2S1(=O)=O |
| InChIKey | LXCYNALXWGQUIK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯并[b]噻吩-3(2H)-酮1,1-二氧化物 (CAS 1127-35-1), with molecular formula C8H6O3S and molecular weight 182.00 g/mol. IUPAC: 1,1-dioxo-1-benzothiophen-3-one.
Chemical Property Profile of 苯并[b]噻吩-3(2H)-酮1,1-二氧化物
Property Insights of 苯并[b]噻吩-3(2H)-酮1,1-二氧化物
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯并[b]噻吩-3(2H)-酮1,1-二氧化物. With a topological polar surface area (TPSA) of 59.6 Ų, 苯并[b]噻吩-3(2H)-酮1,1-二氧化物 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯并[b]噻吩-3(2H)-酮1,1-二氧化物 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 苯并[b]噻吩-3(2H)-酮1,1-二氧化物?
The CAS number of 苯并[b]噻吩-3(2H)-酮1,1-二氧化物 is 1127-35-1.
What is the molecular formula of 苯并[b]噻吩-3(2H)-酮1,1-二氧化物?
The molecular formula of 苯并[b]噻吩-3(2H)-酮1,1-二氧化物 is C8H6O3S.
What is the molecular weight of 苯并[b]噻吩-3(2H)-酮1,1-二氧化物?
The molecular weight of 苯并[b]噻吩-3(2H)-酮1,1-二氧化物 is 182.00 g/mol.
Where can I buy 苯并[b]噻吩-3(2H)-酮1,1-二氧化物?
You can request a quote for 苯并[b]噻吩-3(2H)-酮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[b]噻吩-3(2H)-酮1,1-二氧化物?
Yes, KEHONG BIO provides custom synthesis services for 苯并[b]噻吩-3(2H)-酮1,1-二氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.