2-Ethyl-1,1-dioxo-1-benzothiophen-3-one
TL;DR: 2-Ethyl-1,1-dioxo-1-benzothiophen-3-one (CAS 54862-59-8) is a chemical compound with molecular formula C10H10O3S and molecular weight 210.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-1,1-dioxo-1-benzothiophen-3-one
Also Known As: 2-ethyl-1,1-dioxo-1-benzothiophen-3-one, 2-ethyl-1-benzothiophen-3(2H)-one 1,1-dioxide, AB-337/13036237
| Molecular Formula | C10H10O3S |
|---|---|
| Molecular Weight | 210.04 g/mol |
| LogP | 1.4352 |
| Topological Polar Surface Area | 51.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 210.03506 |
| Heavy Atoms | 14 |
| Complexity | 487.8435 |
Chemical Identifiers
| CAS Number | 54862-59-8 |
|---|---|
| SMILES | CCC1C(=O)C2=CC=CC=C2S1(=O)=O |
Product Overview
2-Ethyl-1,1-dioxo-1-benzothiophen-3-one (CAS 54862-59-8), with molecular formula C10H10O3S and molecular weight 210.04 g/mol. IUPAC: 2-ethyl-1,1-dioxo-1-benzothiophen-3-one.
Chemical Property Profile of 2-Ethyl-1,1-dioxo-1-benzothiophen-3-one
Property Insights of 2-Ethyl-1,1-dioxo-1-benzothiophen-3-one
The XLogP value of 1.4352 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethyl-1,1-dioxo-1-benzothiophen-3-one. With a topological polar surface area (TPSA) of 51.21 Ų, 2-Ethyl-1,1-dioxo-1-benzothiophen-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethyl-1,1-dioxo-1-benzothiophen-3-one 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 2-Ethyl-1,1-dioxo-1-benzothiophen-3-one?
The CAS number of 2-Ethyl-1,1-dioxo-1-benzothiophen-3-one is 54862-59-8.
What is the molecular formula of 2-Ethyl-1,1-dioxo-1-benzothiophen-3-one?
The molecular formula of 2-Ethyl-1,1-dioxo-1-benzothiophen-3-one is C10H10O3S.
What is the molecular weight of 2-Ethyl-1,1-dioxo-1-benzothiophen-3-one?
The molecular weight of 2-Ethyl-1,1-dioxo-1-benzothiophen-3-one is 210.04 g/mol.
Where can I buy 2-Ethyl-1,1-dioxo-1-benzothiophen-3-one?
You can request a quote for 2-Ethyl-1,1-dioxo-1-benzothiophen-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethyl-1,1-dioxo-1-benzothiophen-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethyl-1,1-dioxo-1-benzothiophen-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.