3-ethylbenzothiophene dioxide
TL;DR: 3-ethylbenzothiophene dioxide (CAS 16958-00-2) is a chemical compound with molecular formula C10H10O2S and molecular weight 194.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-1-benzothiophene 1,1-dioxide
Also Known As: 3-ethylbenzothiophene dioxide, 3-ethylbenzo[b]thiole-1,1-dione, 3-ethyl-1-benzothiophene 1,1-dioxide, Benzo[b]thiophene, 3-ethyl-, 1,1-dioxide, 3-Ethyl-1H-1lambda~6~-benzothiophene-1,1-dione
| Molecular Formula | C10H10O2S |
|---|---|
| Molecular Weight | 194.04 g/mol |
| LogP | 2.2248 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.04015 |
| Heavy Atoms | 13 |
| Complexity | 469.45303 |
Chemical Identifiers
| CAS Number | 16958-00-2 |
|---|---|
| SMILES | CCC1=CS(=O)(=O)C2=CC=CC=C21 |
Product Overview
3-ethylbenzothiophene dioxide (CAS 16958-00-2), with molecular formula C10H10O2S and molecular weight 194.04 g/mol. IUPAC: 3-ethyl-1-benzothiophene 1,1-dioxide.
Chemical Property Profile of 3-ethylbenzothiophene dioxide
Property Insights of 3-ethylbenzothiophene dioxide
The XLogP value of 2.2248 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-ethylbenzothiophene dioxide. With a topological polar surface area (TPSA) of 34.14 Ų, 3-ethylbenzothiophene dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-ethylbenzothiophene dioxide 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 3-ethylbenzothiophene dioxide?
The CAS number of 3-ethylbenzothiophene dioxide is 16958-00-2.
What is the molecular formula of 3-ethylbenzothiophene dioxide?
The molecular formula of 3-ethylbenzothiophene dioxide is C10H10O2S.
What is the molecular weight of 3-ethylbenzothiophene dioxide?
The molecular weight of 3-ethylbenzothiophene dioxide is 194.04 g/mol.
Where can I buy 3-ethylbenzothiophene dioxide?
You can request a quote for 3-ethylbenzothiophene dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-ethylbenzothiophene dioxide?
Yes, KEHONG BIO provides custom synthesis services for 3-ethylbenzothiophene dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.