3-methyl-5-piperonylidene-2-thioxo-thiazolidin-4-one
TL;DR: 3-methyl-5-piperonylidene-2-thioxo-thiazolidin-4-one (CAS 122997-49-3) 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.
5-(1,3-benzodioxol-5-ylmethylidene)-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 3-methyl-5-piperonylidene-2-thioxo-thiazolidin-4-one, 5-(1,3-benzodioxol-5-ylmethylidene)-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C12H9NO3S2 |
|---|---|
| Molecular Weight | 279.00 g/mol |
| LogP | 2.2463 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 279.00238 |
| Heavy Atoms | 18 |
| Complexity | 582.6853 |
Chemical Identifiers
| CAS Number | 122997-49-3 |
|---|---|
| SMILES | CN1C(=O)C(=CC2=CC3=C(C=C2)OCO3)SC1=S |
Product Overview
3-methyl-5-piperonylidene-2-thioxo-thiazolidin-4-one (CAS 122997-49-3), with molecular formula C12H9NO3S2 and molecular weight 279.00 g/mol. IUPAC: 5-(1,3-benzodioxol-5-ylmethylidene)-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 3-methyl-5-piperonylidene-2-thioxo-thiazolidin-4-one
Property Insights of 3-methyl-5-piperonylidene-2-thioxo-thiazolidin-4-one
The XLogP value of 2.2463 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-5-piperonylidene-2-thioxo-thiazolidin-4-one. With a topological polar surface area (TPSA) of 38.77 Ų, 3-methyl-5-piperonylidene-2-thioxo-thiazolidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methyl-5-piperonylidene-2-thioxo-thiazolidin-4-one 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-methyl-5-piperonylidene-2-thioxo-thiazolidin-4-one?
The CAS number of 3-methyl-5-piperonylidene-2-thioxo-thiazolidin-4-one is 122997-49-3.
What is the molecular formula of 3-methyl-5-piperonylidene-2-thioxo-thiazolidin-4-one?
The molecular formula of 3-methyl-5-piperonylidene-2-thioxo-thiazolidin-4-one is C12H9NO3S2.
What is the molecular weight of 3-methyl-5-piperonylidene-2-thioxo-thiazolidin-4-one?
The molecular weight of 3-methyl-5-piperonylidene-2-thioxo-thiazolidin-4-one is 279.00 g/mol.
Where can I buy 3-methyl-5-piperonylidene-2-thioxo-thiazolidin-4-one?
You can request a quote for 3-methyl-5-piperonylidene-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-methyl-5-piperonylidene-2-thioxo-thiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-5-piperonylidene-2-thioxo-thiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.