2-Thioxo-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylene)thiazolidine-4-one
TL;DR: 2-Thioxo-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylene)thiazolidine-4-one (CAS 876546-80-4) is a chemical compound with molecular formula C12H9NO3S2 and molecular weight 279.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: J2.489.277H, (5E)-5-[(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, F3215-0243, 2-Thioxo-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylene)thiazolidine-4-one, (5E)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C12H9NO3S2 |
|---|---|
| Molecular Weight | 279.00 g/mol |
| LogP | 1.9466 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 279.00238 |
| Heavy Atoms | 18 |
| Complexity | 568.441 |
Chemical Identifiers
| CAS Number | 876546-80-4 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)/C=C/3\C(=O)NC(=S)S3 |
Product Overview
2-Thioxo-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylene)thiazolidine-4-one (CAS 876546-80-4), with molecular formula C12H9NO3S2 and molecular weight 279.00 g/mol. IUPAC: (5E)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 2-Thioxo-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylene)thiazolidine-4-one
Property Insights of 2-Thioxo-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylene)thiazolidine-4-one
The XLogP value of 1.9466 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Thioxo-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylene)thiazolidine-4-one. With a topological polar surface area (TPSA) of 47.56 Ų, 2-Thioxo-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylene)thiazolidine-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Thioxo-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylene)thiazolidine-4-one has 1 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 2-Thioxo-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylene)thiazolidine-4-one?
The CAS number of 2-Thioxo-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylene)thiazolidine-4-one is 876546-80-4.
What is the molecular formula of 2-Thioxo-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylene)thiazolidine-4-one?
The molecular formula of 2-Thioxo-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylene)thiazolidine-4-one is C12H9NO3S2.
What is the molecular weight of 2-Thioxo-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylene)thiazolidine-4-one?
The molecular weight of 2-Thioxo-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylene)thiazolidine-4-one is 279.00 g/mol.
Where can I buy 2-Thioxo-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylene)thiazolidine-4-one?
You can request a quote for 2-Thioxo-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylene)thiazolidine-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Thioxo-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylene)thiazolidine-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Thioxo-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylene)thiazolidine-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.