![3-acetyl-4-[(4-methylphenyl)sulfanyl]-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione structure](/static/products/3390/339022-67-2.webp)
3-acetyl-4-[(4-methylphenyl)sulfanyl]-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione
TL;DR: 3-acetyl-4-[(4-methylphenyl)sulfanyl]-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione (CAS 339022-67-2) is a chemical compound with molecular formula C13H14O3S2 and molecular weight 282.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(4-methylphenyl)sulfanyl-1,1-dioxo-2,5-dihydrothiophen-3-yl]ethanone
Also Known As: 3-acetyl-4-[(4-methylphenyl)sulfanyl]-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione, 3-acetyl-4-[(4-methylphenyl)sulfanyl]-2,5-dihydro-1lambda6-thiophene-1,1-dione, 1-[4-(4-methylphenyl)sulfanyl-1,1-dioxo-2,5-dihydrothiophen-3-yl]ethanone, 1-(1,1-Dioxido-4-(p-tolylthio)-2,5-dihydrothiophen-3-yl)ethan-1-one, 1-[1,1-dioxo-4-(p-tolylsulfanyl)-2,5-dihydrothiophen-3-yl]ethanone
| Molecular Formula | C13H14O3S2 |
|---|---|
| Molecular Weight | 282.04 g/mol |
| LogP | 2.35862 |
| Topological Polar Surface Area | 51.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.03842 |
| Heavy Atoms | 18 |
| Complexity | 610.14136 |
Chemical Identifiers
| CAS Number | 339022-67-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=C(CS(=O)(=O)C2)C(=O)C |
Product Overview
3-acetyl-4-[(4-methylphenyl)sulfanyl]-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione (CAS 339022-67-2), with molecular formula C13H14O3S2 and molecular weight 282.04 g/mol. IUPAC: 1-[4-(4-methylphenyl)sulfanyl-1,1-dioxo-2,5-dihydrothiophen-3-yl]ethanone.
Chemical Property Profile of 3-acetyl-4-[(4-methylphenyl)sulfanyl]-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione
Property Insights of 3-acetyl-4-[(4-methylphenyl)sulfanyl]-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione
The XLogP value of 2.35862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-acetyl-4-[(4-methylphenyl)sulfanyl]-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione. With a topological polar surface area (TPSA) of 51.21 Ų, 3-acetyl-4-[(4-methylphenyl)sulfanyl]-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-acetyl-4-[(4-methylphenyl)sulfanyl]-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione 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 3-acetyl-4-[(4-methylphenyl)sulfanyl]-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione?
The CAS number of 3-acetyl-4-[(4-methylphenyl)sulfanyl]-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione is 339022-67-2.
What is the molecular formula of 3-acetyl-4-[(4-methylphenyl)sulfanyl]-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione?
The molecular formula of 3-acetyl-4-[(4-methylphenyl)sulfanyl]-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione is C13H14O3S2.
What is the molecular weight of 3-acetyl-4-[(4-methylphenyl)sulfanyl]-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione?
The molecular weight of 3-acetyl-4-[(4-methylphenyl)sulfanyl]-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione is 282.04 g/mol.
Where can I buy 3-acetyl-4-[(4-methylphenyl)sulfanyl]-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione?
You can request a quote for 3-acetyl-4-[(4-methylphenyl)sulfanyl]-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-acetyl-4-[(4-methylphenyl)sulfanyl]-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-acetyl-4-[(4-methylphenyl)sulfanyl]-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.