![3-acetyl-2-[(E)-(dimethylamino)methylidene]-4-[(4-methylphenyl)sulfanyl]-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione structure](/static/products/866/866142-98-5.png)
3-acetyl-2-[(E)-(dimethylamino)methylidene]-4-[(4-methylphenyl)sulfanyl]-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione
TL;DR: 3-acetyl-2-[(E)-(dimethylamino)methylidene]-4-[(4-methylphenyl)sulfanyl]-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione (CAS 866142-98-5) is a chemical compound with molecular formula C16H19NO3S2 and molecular weight 337.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-(dimethylaminomethylidene)-3-(4-methylphenyl)sulfanyl-1,1-dioxo-2H-thiophen-4-yl]ethanone
Also Known As: 3-acetyl-2-[(E)-(dimethylamino)methylidene]-4-[(4-methylphenyl)sulfanyl]-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione, 1-[5-(dimethylaminomethylidene)-3-(4-methylphenyl)sulfanyl-1,1-dioxo-2H-thiophen-4-yl]ethanone, 1-[2-(dimethylaminomethylidene)-4-(4-methylphenyl)sulfanyl-1,1-dioxo-5H-thiophen-3-yl]ethanone
| Molecular Formula | C16H19NO3S2 |
|---|---|
| Molecular Weight | 337.08 g/mol |
| LogP | 2.76162 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.08063 |
| Heavy Atoms | 22 |
| Complexity | 757.0856 |
Chemical Identifiers
| CAS Number | 866142-98-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=C(C(=CN(C)C)S(=O)(=O)C2)C(=O)C |
Product Overview
3-acetyl-2-[(E)-(dimethylamino)methylidene]-4-[(4-methylphenyl)sulfanyl]-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione (CAS 866142-98-5), with molecular formula C16H19NO3S2 and molecular weight 337.08 g/mol. IUPAC: 1-[5-(dimethylaminomethylidene)-3-(4-methylphenyl)sulfanyl-1,1-dioxo-2H-thiophen-4-yl]ethanone.
Chemical Property Profile of 3-acetyl-2-[(E)-(dimethylamino)methylidene]-4-[(4-methylphenyl)sulfanyl]-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione
Property Insights of 3-acetyl-2-[(E)-(dimethylamino)methylidene]-4-[(4-methylphenyl)sulfanyl]-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione
The XLogP value of 2.76162 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-acetyl-2-[(E)-(dimethylamino)methylidene]-4-[(4-methylphenyl)sulfanyl]-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione. With a topological polar surface area (TPSA) of 54.45 Ų, 3-acetyl-2-[(E)-(dimethylamino)methylidene]-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-2-[(E)-(dimethylamino)methylidene]-4-[(4-methylphenyl)sulfanyl]-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione has 0 hydrogen bond donor(s) and 5 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-2-[(E)-(dimethylamino)methylidene]-4-[(4-methylphenyl)sulfanyl]-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione?
The CAS number of 3-acetyl-2-[(E)-(dimethylamino)methylidene]-4-[(4-methylphenyl)sulfanyl]-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione is 866142-98-5.
What is the molecular formula of 3-acetyl-2-[(E)-(dimethylamino)methylidene]-4-[(4-methylphenyl)sulfanyl]-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione?
The molecular formula of 3-acetyl-2-[(E)-(dimethylamino)methylidene]-4-[(4-methylphenyl)sulfanyl]-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione is C16H19NO3S2.
What is the molecular weight of 3-acetyl-2-[(E)-(dimethylamino)methylidene]-4-[(4-methylphenyl)sulfanyl]-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione?
The molecular weight of 3-acetyl-2-[(E)-(dimethylamino)methylidene]-4-[(4-methylphenyl)sulfanyl]-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione is 337.08 g/mol.
Where can I buy 3-acetyl-2-[(E)-(dimethylamino)methylidene]-4-[(4-methylphenyl)sulfanyl]-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione?
You can request a quote for 3-acetyl-2-[(E)-(dimethylamino)methylidene]-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-2-[(E)-(dimethylamino)methylidene]-4-[(4-methylphenyl)sulfanyl]-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-acetyl-2-[(E)-(dimethylamino)methylidene]-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.