2-Methyl-1,1-dioxido-1-benzothien-3-yl acetate
TL;DR: 2-Methyl-1,1-dioxido-1-benzothien-3-yl acetate (CAS 62331-83-3) is a chemical compound with molecular formula C11H10O4S and molecular weight 238.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methyl-1,1-dioxo-1-benzothiophen-3-yl) acetate
Also Known As: 2-Methyl-1,1-dioxido-1-benzothien-3-yl acetate, NCIOpen2_004474, (2-methyl-1,1-dioxo-1-benzothiophen-3-yl) acetate, (2-methyl-1,1-dioxo-benzothiophen-3-yl) acetate, 2-Methyl-1,1-dioxo-1H-1lambda~6~-benzothiophen-3-yl acetate
| Molecular Formula | C11H10O4S |
|---|---|
| Molecular Weight | 238.03 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 68.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.02998 |
| Heavy Atoms | 16 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 62331-83-3 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2S1(=O)=O)OC(=O)C |
| InChIKey | HSJVVQFRXCUDGS-UHFFFAOYSA-N |
Product Overview
2-Methyl-1,1-dioxido-1-benzothien-3-yl acetate (CAS 62331-83-3), with molecular formula C11H10O4S and molecular weight 238.03 g/mol. IUPAC: (2-methyl-1,1-dioxo-1-benzothiophen-3-yl) acetate.
Chemical Property Profile of 2-Methyl-1,1-dioxido-1-benzothien-3-yl acetate
Property Insights of 2-Methyl-1,1-dioxido-1-benzothien-3-yl acetate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-1,1-dioxido-1-benzothien-3-yl acetate. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-1,1-dioxido-1-benzothien-3-yl acetate. Following Lipinski's Rule of Five, 2-Methyl-1,1-dioxido-1-benzothien-3-yl acetate has 0 hydrogen bond donor(s) and 4 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-Methyl-1,1-dioxido-1-benzothien-3-yl acetate?
The CAS number of 2-Methyl-1,1-dioxido-1-benzothien-3-yl acetate is 62331-83-3.
What is the molecular formula of 2-Methyl-1,1-dioxido-1-benzothien-3-yl acetate?
The molecular formula of 2-Methyl-1,1-dioxido-1-benzothien-3-yl acetate is C11H10O4S.
What is the molecular weight of 2-Methyl-1,1-dioxido-1-benzothien-3-yl acetate?
The molecular weight of 2-Methyl-1,1-dioxido-1-benzothien-3-yl acetate is 238.03 g/mol.
Where can I buy 2-Methyl-1,1-dioxido-1-benzothien-3-yl acetate?
You can request a quote for 2-Methyl-1,1-dioxido-1-benzothien-3-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-1,1-dioxido-1-benzothien-3-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-1,1-dioxido-1-benzothien-3-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.