![2-[4-(Methylsulfanyl)phenyl]-5-(thiophen-2-ylmethylidene)-1,3-dioxane-4,6-dione structure](/static/products/590/590396-40-0.png)
2-[4-(Methylsulfanyl)phenyl]-5-(thiophen-2-ylmethylidene)-1,3-dioxane-4,6-dione
TL;DR: 2-[4-(Methylsulfanyl)phenyl]-5-(thiophen-2-ylmethylidene)-1,3-dioxane-4,6-dione (CAS 590396-40-0) is a chemical compound with molecular formula C16H12O4S2 and molecular weight 332.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylsulfanylphenyl)-5-(thiophen-2-ylmethylidene)-1,3-dioxane-4,6-dione
Also Known As: 2-[4-(methylthio)phenyl]-5-(2-thienylmethylene)-1,3-dioxane-4,6-dione, 2-(4-(methylthio)phenyl)-5-(thiophen-2-ylmethylene)-1,3-dioxane-4,6-dione, 2-(4-methylsulfanylphenyl)-5-(thiophen-2-ylmethylidene)-1,3-dioxane-4,6-dione, 2-[4-(methylsulfanyl)phenyl]-5-(thiophen-2-ylmethylidene)-1,3-dioxane-4,6-dione, 2-[4-(METHYLSULFANYL)PHENYL]-5-[(THIOPHEN-2-YL)METHYLIDENE]-1,3-DIOXANE-4,6-DIONE
| Molecular Formula | C16H12O4S2 |
|---|---|
| Molecular Weight | 332.02 g/mol |
| LogP | 3.6522 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.0177 |
| Heavy Atoms | 22 |
| Complexity | 697.1139 |
Chemical Identifiers
| CAS Number | 590396-40-0 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)C2OC(=O)C(=CC3=CC=CS3)C(=O)O2 |
Product Overview
2-[4-(Methylsulfanyl)phenyl]-5-(thiophen-2-ylmethylidene)-1,3-dioxane-4,6-dione (CAS 590396-40-0), with molecular formula C16H12O4S2 and molecular weight 332.02 g/mol. IUPAC: 2-(4-methylsulfanylphenyl)-5-(thiophen-2-ylmethylidene)-1,3-dioxane-4,6-dione.
Chemical Property Profile of 2-[4-(Methylsulfanyl)phenyl]-5-(thiophen-2-ylmethylidene)-1,3-dioxane-4,6-dione
Property Insights of 2-[4-(Methylsulfanyl)phenyl]-5-(thiophen-2-ylmethylidene)-1,3-dioxane-4,6-dione
The XLogP value of 3.6522 indicates that 2-[4-(Methylsulfanyl)phenyl]-5-(thiophen-2-ylmethylidene)-1,3-dioxane-4,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 2-[4-(Methylsulfanyl)phenyl]-5-(thiophen-2-ylmethylidene)-1,3-dioxane-4,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[4-(Methylsulfanyl)phenyl]-5-(thiophen-2-ylmethylidene)-1,3-dioxane-4,6-dione has 0 hydrogen bond donor(s) and 6 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-[4-(Methylsulfanyl)phenyl]-5-(thiophen-2-ylmethylidene)-1,3-dioxane-4,6-dione?
The CAS number of 2-[4-(Methylsulfanyl)phenyl]-5-(thiophen-2-ylmethylidene)-1,3-dioxane-4,6-dione is 590396-40-0.
What is the molecular formula of 2-[4-(Methylsulfanyl)phenyl]-5-(thiophen-2-ylmethylidene)-1,3-dioxane-4,6-dione?
The molecular formula of 2-[4-(Methylsulfanyl)phenyl]-5-(thiophen-2-ylmethylidene)-1,3-dioxane-4,6-dione is C16H12O4S2.
What is the molecular weight of 2-[4-(Methylsulfanyl)phenyl]-5-(thiophen-2-ylmethylidene)-1,3-dioxane-4,6-dione?
The molecular weight of 2-[4-(Methylsulfanyl)phenyl]-5-(thiophen-2-ylmethylidene)-1,3-dioxane-4,6-dione is 332.02 g/mol.
Where can I buy 2-[4-(Methylsulfanyl)phenyl]-5-(thiophen-2-ylmethylidene)-1,3-dioxane-4,6-dione?
You can request a quote for 2-[4-(Methylsulfanyl)phenyl]-5-(thiophen-2-ylmethylidene)-1,3-dioxane-4,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(Methylsulfanyl)phenyl]-5-(thiophen-2-ylmethylidene)-1,3-dioxane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(Methylsulfanyl)phenyl]-5-(thiophen-2-ylmethylidene)-1,3-dioxane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.