3-(4-Ethoxybenzoyl)-1,3-thiazolidine-2-thione
TL;DR: 3-(4-Ethoxybenzoyl)-1,3-thiazolidine-2-thione (CAS 462069-02-9) is a chemical compound with molecular formula C12H13NO2S2 and molecular weight 267.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-ethoxyphenyl)-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone
Also Known As: 3-(4-Ethoxybenzoyl)-1,3-thiazolidine-2-thione, ChemDiv2_001062, 2-thiazolidinethione, 3-(4-ethoxybenzoyl)-, BAS 04280485, (4-Ethoxy-phenyl)-(2-thioxo-thiazolidin-3-yl)-methanone
| Molecular Formula | C12H13NO2S2 |
|---|---|
| Molecular Weight | 267.04 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 86.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.03876 |
| Heavy Atoms | 17 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 462069-02-9 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C(=O)N2CCSC2=S |
| InChIKey | QJWNLNJCCBRMTD-UHFFFAOYSA-N |
Product Overview
3-(4-Ethoxybenzoyl)-1,3-thiazolidine-2-thione (CAS 462069-02-9), with molecular formula C12H13NO2S2 and molecular weight 267.04 g/mol. IUPAC: (4-ethoxyphenyl)-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone.
Chemical Property Profile of 3-(4-Ethoxybenzoyl)-1,3-thiazolidine-2-thione
Property Insights of 3-(4-Ethoxybenzoyl)-1,3-thiazolidine-2-thione
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Ethoxybenzoyl)-1,3-thiazolidine-2-thione. The TPSA of 86.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Ethoxybenzoyl)-1,3-thiazolidine-2-thione. Following Lipinski's Rule of Five, 3-(4-Ethoxybenzoyl)-1,3-thiazolidine-2-thione 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-(4-Ethoxybenzoyl)-1,3-thiazolidine-2-thione?
The CAS number of 3-(4-Ethoxybenzoyl)-1,3-thiazolidine-2-thione is 462069-02-9.
What is the molecular formula of 3-(4-Ethoxybenzoyl)-1,3-thiazolidine-2-thione?
The molecular formula of 3-(4-Ethoxybenzoyl)-1,3-thiazolidine-2-thione is C12H13NO2S2.
What is the molecular weight of 3-(4-Ethoxybenzoyl)-1,3-thiazolidine-2-thione?
The molecular weight of 3-(4-Ethoxybenzoyl)-1,3-thiazolidine-2-thione is 267.04 g/mol.
Where can I buy 3-(4-Ethoxybenzoyl)-1,3-thiazolidine-2-thione?
You can request a quote for 3-(4-Ethoxybenzoyl)-1,3-thiazolidine-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Ethoxybenzoyl)-1,3-thiazolidine-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Ethoxybenzoyl)-1,3-thiazolidine-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.