3-(3,4-Dimethoxybenzoyl)-1,3-thiazolidine-2-thione
TL;DR: 3-(3,4-Dimethoxybenzoyl)-1,3-thiazolidine-2-thione (CAS 111427-22-6) is a chemical compound with molecular formula C12H13NO3S2 and molecular weight 283.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4-dimethoxyphenyl)-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone
Also Known As: 3-(3,4-Dimethoxybenzoyl)-1,3-thiazolidine-2-thione, ChemDiv2_001106, 2-Thiazolidinethione, 3-(3,4-dimethoxybenzoyl)-, BAS 04280487, (3,4-dimethoxyphenyl)-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone
| Molecular Formula | C12H13NO3S2 |
|---|---|
| Molecular Weight | 283.03 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 96.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.0337 |
| Heavy Atoms | 18 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 111427-22-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)N2CCSC2=S)OC |
| InChIKey | WCBLMXIHSQIOQM-UHFFFAOYSA-N |
Product Overview
3-(3,4-Dimethoxybenzoyl)-1,3-thiazolidine-2-thione (CAS 111427-22-6), with molecular formula C12H13NO3S2 and molecular weight 283.03 g/mol. IUPAC: (3,4-dimethoxyphenyl)-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone.
Chemical Property Profile of 3-(3,4-Dimethoxybenzoyl)-1,3-thiazolidine-2-thione
Property Insights of 3-(3,4-Dimethoxybenzoyl)-1,3-thiazolidine-2-thione
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,4-Dimethoxybenzoyl)-1,3-thiazolidine-2-thione. The TPSA of 96.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,4-Dimethoxybenzoyl)-1,3-thiazolidine-2-thione. Following Lipinski's Rule of Five, 3-(3,4-Dimethoxybenzoyl)-1,3-thiazolidine-2-thione 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-(3,4-Dimethoxybenzoyl)-1,3-thiazolidine-2-thione?
The CAS number of 3-(3,4-Dimethoxybenzoyl)-1,3-thiazolidine-2-thione is 111427-22-6.
What is the molecular formula of 3-(3,4-Dimethoxybenzoyl)-1,3-thiazolidine-2-thione?
The molecular formula of 3-(3,4-Dimethoxybenzoyl)-1,3-thiazolidine-2-thione is C12H13NO3S2.
What is the molecular weight of 3-(3,4-Dimethoxybenzoyl)-1,3-thiazolidine-2-thione?
The molecular weight of 3-(3,4-Dimethoxybenzoyl)-1,3-thiazolidine-2-thione is 283.03 g/mol.
Where can I buy 3-(3,4-Dimethoxybenzoyl)-1,3-thiazolidine-2-thione?
You can request a quote for 3-(3,4-Dimethoxybenzoyl)-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-(3,4-Dimethoxybenzoyl)-1,3-thiazolidine-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-Dimethoxybenzoyl)-1,3-thiazolidine-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.