3-Allyl-5-furan-2-ylmethylene-2-thioxo-thiazolidin-4-one
TL;DR: 3-Allyl-5-furan-2-ylmethylene-2-thioxo-thiazolidin-4-one (CAS 1803101-18-9) is a chemical compound with molecular formula C11H9NO2S2 and molecular weight 251.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-(furan-2-ylmethylidene)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: BAS 00918549, BIM-0012329.P001, 3-Allyl-5-furan-2-ylmethylene-2-thioxo-thiazolidin-4-one, (Z)-3-allyl-5-(furan-2-ylmethylene)-2-thioxothiazolidin-4-one, (5Z)-5-(furan-2-ylmethylidene)-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C11H9NO2S2 |
|---|---|
| Molecular Weight | 251.01 g/mol |
| LogP | 2.6668 |
| Topological Polar Surface Area | 33.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.00748 |
| Heavy Atoms | 16 |
| Complexity | 462.33893 |
Chemical Identifiers
| CAS Number | 1803101-18-9 |
|---|---|
| SMILES | C=CCN1C(=O)/C(=C/C2=CC=CO2)/SC1=S |
Product Overview
3-Allyl-5-furan-2-ylmethylene-2-thioxo-thiazolidin-4-one (CAS 1803101-18-9), with molecular formula C11H9NO2S2 and molecular weight 251.01 g/mol. IUPAC: (5Z)-5-(furan-2-ylmethylidene)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 3-Allyl-5-furan-2-ylmethylene-2-thioxo-thiazolidin-4-one
Property Insights of 3-Allyl-5-furan-2-ylmethylene-2-thioxo-thiazolidin-4-one
The XLogP value of 2.6668 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Allyl-5-furan-2-ylmethylene-2-thioxo-thiazolidin-4-one. With a topological polar surface area (TPSA) of 33.45 Ų, 3-Allyl-5-furan-2-ylmethylene-2-thioxo-thiazolidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Allyl-5-furan-2-ylmethylene-2-thioxo-thiazolidin-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 3-Allyl-5-furan-2-ylmethylene-2-thioxo-thiazolidin-4-one?
The CAS number of 3-Allyl-5-furan-2-ylmethylene-2-thioxo-thiazolidin-4-one is 1803101-18-9.
What is the molecular formula of 3-Allyl-5-furan-2-ylmethylene-2-thioxo-thiazolidin-4-one?
The molecular formula of 3-Allyl-5-furan-2-ylmethylene-2-thioxo-thiazolidin-4-one is C11H9NO2S2.
What is the molecular weight of 3-Allyl-5-furan-2-ylmethylene-2-thioxo-thiazolidin-4-one?
The molecular weight of 3-Allyl-5-furan-2-ylmethylene-2-thioxo-thiazolidin-4-one is 251.01 g/mol.
Where can I buy 3-Allyl-5-furan-2-ylmethylene-2-thioxo-thiazolidin-4-one?
You can request a quote for 3-Allyl-5-furan-2-ylmethylene-2-thioxo-thiazolidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Allyl-5-furan-2-ylmethylene-2-thioxo-thiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Allyl-5-furan-2-ylmethylene-2-thioxo-thiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.