3-(4-Nitrobenzoyl)-1,3-thiazolidine-2-thione
TL;DR: 3-(4-Nitrobenzoyl)-1,3-thiazolidine-2-thione (CAS 1438-01-3) is a chemical compound with molecular formula C10H8N2O3S2 and molecular weight 268.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl)-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone
Also Known As: 3-(4-nitrobenzoyl)-1,3-thiazolidine-2-thione, N-p-nitrobenzoylthiazolidinethione, N-(p-Nitrobenzoyl)thiazolidine-2-thione, 3-(4-Nitrobenzoyl)-2-thiazolidinethione, (4-nitrophenyl)-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone
| Molecular Formula | C10H8N2O3S2 |
|---|---|
| Molecular Weight | 268.00 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 267.99762 |
| Heavy Atoms | 17 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 1438-01-3 |
|---|---|
| SMILES | C1CSC(=S)N1C(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | PWTXCYNQGVBMDJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-Nitrobenzoyl)-1,3-thiazolidine-2-thione (CAS 1438-01-3), with molecular formula C10H8N2O3S2 and molecular weight 268.00 g/mol. IUPAC: (4-nitrophenyl)-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone.
Chemical Property Profile of 3-(4-Nitrobenzoyl)-1,3-thiazolidine-2-thione
Property Insights of 3-(4-Nitrobenzoyl)-1,3-thiazolidine-2-thione
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Nitrobenzoyl)-1,3-thiazolidine-2-thione. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Nitrobenzoyl)-1,3-thiazolidine-2-thione. Following Lipinski's Rule of Five, 3-(4-Nitrobenzoyl)-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-(4-Nitrobenzoyl)-1,3-thiazolidine-2-thione?
The CAS number of 3-(4-Nitrobenzoyl)-1,3-thiazolidine-2-thione is 1438-01-3.
What is the molecular formula of 3-(4-Nitrobenzoyl)-1,3-thiazolidine-2-thione?
The molecular formula of 3-(4-Nitrobenzoyl)-1,3-thiazolidine-2-thione is C10H8N2O3S2.
What is the molecular weight of 3-(4-Nitrobenzoyl)-1,3-thiazolidine-2-thione?
The molecular weight of 3-(4-Nitrobenzoyl)-1,3-thiazolidine-2-thione is 268.00 g/mol.
Where can I buy 3-(4-Nitrobenzoyl)-1,3-thiazolidine-2-thione?
You can request a quote for 3-(4-Nitrobenzoyl)-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-Nitrobenzoyl)-1,3-thiazolidine-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Nitrobenzoyl)-1,3-thiazolidine-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.