3-(1,3-Benzodioxol-5-ylmethyl)-2-thioxo-1,3-thiazolidin-4-one
TL;DR: 3-(1,3-Benzodioxol-5-ylmethyl)-2-thioxo-1,3-thiazolidin-4-one (CAS 28824-73-9) is a chemical compound with molecular formula C11H9NO3S2 and molecular weight 267.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 3-Piperonyl rhodanine, 3-(1,3-Benzodioxol-5-ylmethyl)-2-thioxo-1,3-thiazolidin-4-one, 3-(2H-1,3-benzodioxol-5-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one, 3-(benzo[d][1,3]dioxol-5-ylmethyl)-2-thioxothiazolidin-4-one, 3-(1,3-benzodioxol-5-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C11H9NO3S2 |
|---|---|
| Molecular Weight | 267.00 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 96.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.00238 |
| Heavy Atoms | 17 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 28824-73-9 |
|---|---|
| SMILES | C1C(=O)N(C(=S)S1)CC2=CC3=C(C=C2)OCO3 |
| InChIKey | MHSDYAGXVXJMRR-UHFFFAOYSA-N |
Product Overview
3-(1,3-Benzodioxol-5-ylmethyl)-2-thioxo-1,3-thiazolidin-4-one (CAS 28824-73-9), with molecular formula C11H9NO3S2 and molecular weight 267.00 g/mol. IUPAC: 3-(1,3-benzodioxol-5-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 3-(1,3-Benzodioxol-5-ylmethyl)-2-thioxo-1,3-thiazolidin-4-one
Property Insights of 3-(1,3-Benzodioxol-5-ylmethyl)-2-thioxo-1,3-thiazolidin-4-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,3-Benzodioxol-5-ylmethyl)-2-thioxo-1,3-thiazolidin-4-one. The TPSA of 96.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-Benzodioxol-5-ylmethyl)-2-thioxo-1,3-thiazolidin-4-one. Following Lipinski's Rule of Five, 3-(1,3-Benzodioxol-5-ylmethyl)-2-thioxo-1,3-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-(1,3-Benzodioxol-5-ylmethyl)-2-thioxo-1,3-thiazolidin-4-one?
The CAS number of 3-(1,3-Benzodioxol-5-ylmethyl)-2-thioxo-1,3-thiazolidin-4-one is 28824-73-9.
What is the molecular formula of 3-(1,3-Benzodioxol-5-ylmethyl)-2-thioxo-1,3-thiazolidin-4-one?
The molecular formula of 3-(1,3-Benzodioxol-5-ylmethyl)-2-thioxo-1,3-thiazolidin-4-one is C11H9NO3S2.
What is the molecular weight of 3-(1,3-Benzodioxol-5-ylmethyl)-2-thioxo-1,3-thiazolidin-4-one?
The molecular weight of 3-(1,3-Benzodioxol-5-ylmethyl)-2-thioxo-1,3-thiazolidin-4-one is 267.00 g/mol.
Where can I buy 3-(1,3-Benzodioxol-5-ylmethyl)-2-thioxo-1,3-thiazolidin-4-one?
You can request a quote for 3-(1,3-Benzodioxol-5-ylmethyl)-2-thioxo-1,3-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-(1,3-Benzodioxol-5-ylmethyl)-2-thioxo-1,3-thiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-Benzodioxol-5-ylmethyl)-2-thioxo-1,3-thiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.