![1-Acetyl-6,6-dimethyl-3-(methylthio)-4,5,6,7-tetrahydrobenzo[c]thiophen-4-one structure](/static/products/1752/175202-49-0.webp)
1-Acetyl-6,6-dimethyl-3-(methylthio)-4,5,6,7-tetrahydrobenzo[c]thiophen-4-one
TL;DR: 1-Acetyl-6,6-dimethyl-3-(methylthio)-4,5,6,7-tetrahydrobenzo[c]thiophen-4-one (CAS 175202-49-0) is a chemical compound with molecular formula C13H16O2S2 and molecular weight 268.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-acetyl-6,6-dimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophen-4-one
Also Known As: Maybridge1_004560, 1-acetyl-6,6-dimethyl-3-(methylthio)-4,5,6,7-tetrahydrobenzo[c]thiophen-4-one, 1-acetyl-6,6-dimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophen-4-one, I14-35095, 1-Acetyl-6,6-dimethyl-3-(methylthio)-6,7-dihydrobenzo[c]thiophen-4(5H)-one
| Molecular Formula | C13H16O2S2 |
|---|---|
| Molecular Weight | 268.06 g/mol |
| LogP | 3.8277 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.05917 |
| Heavy Atoms | 17 |
| Complexity | 497.7629 |
Chemical Identifiers
| CAS Number | 175202-49-0 |
|---|---|
| SMILES | CC(=O)C1=C2CC(CC(=O)C2=C(S1)SC)(C)C |
Product Overview
1-Acetyl-6,6-dimethyl-3-(methylthio)-4,5,6,7-tetrahydrobenzo[c]thiophen-4-one (CAS 175202-49-0), with molecular formula C13H16O2S2 and molecular weight 268.06 g/mol. IUPAC: 1-acetyl-6,6-dimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophen-4-one.
Chemical Property Profile of 1-Acetyl-6,6-dimethyl-3-(methylthio)-4,5,6,7-tetrahydrobenzo[c]thiophen-4-one
Property Insights of 1-Acetyl-6,6-dimethyl-3-(methylthio)-4,5,6,7-tetrahydrobenzo[c]thiophen-4-one
The XLogP value of 3.8277 indicates that 1-Acetyl-6,6-dimethyl-3-(methylthio)-4,5,6,7-tetrahydrobenzo[c]thiophen-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.14 Ų, 1-Acetyl-6,6-dimethyl-3-(methylthio)-4,5,6,7-tetrahydrobenzo[c]thiophen-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Acetyl-6,6-dimethyl-3-(methylthio)-4,5,6,7-tetrahydrobenzo[c]thiophen-4-one 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 1-Acetyl-6,6-dimethyl-3-(methylthio)-4,5,6,7-tetrahydrobenzo[c]thiophen-4-one?
The CAS number of 1-Acetyl-6,6-dimethyl-3-(methylthio)-4,5,6,7-tetrahydrobenzo[c]thiophen-4-one is 175202-49-0.
What is the molecular formula of 1-Acetyl-6,6-dimethyl-3-(methylthio)-4,5,6,7-tetrahydrobenzo[c]thiophen-4-one?
The molecular formula of 1-Acetyl-6,6-dimethyl-3-(methylthio)-4,5,6,7-tetrahydrobenzo[c]thiophen-4-one is C13H16O2S2.
What is the molecular weight of 1-Acetyl-6,6-dimethyl-3-(methylthio)-4,5,6,7-tetrahydrobenzo[c]thiophen-4-one?
The molecular weight of 1-Acetyl-6,6-dimethyl-3-(methylthio)-4,5,6,7-tetrahydrobenzo[c]thiophen-4-one is 268.06 g/mol.
Where can I buy 1-Acetyl-6,6-dimethyl-3-(methylthio)-4,5,6,7-tetrahydrobenzo[c]thiophen-4-one?
You can request a quote for 1-Acetyl-6,6-dimethyl-3-(methylthio)-4,5,6,7-tetrahydrobenzo[c]thiophen-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Acetyl-6,6-dimethyl-3-(methylthio)-4,5,6,7-tetrahydrobenzo[c]thiophen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Acetyl-6,6-dimethyl-3-(methylthio)-4,5,6,7-tetrahydrobenzo[c]thiophen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.