(5Z)-3-butyl-5-(3-nitrobenzylidene)-2-thioxo-1,3-thiazolidin-4-one
TL;DR: (5Z)-3-butyl-5-(3-nitrobenzylidene)-2-thioxo-1,3-thiazolidin-4-one (CAS 93758-75-9) is a chemical compound with molecular formula C14H14N2O3S2 and molecular weight 322.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-butyl-5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: BAS 00032352, (Z)-3-butyl-5-(3-nitrobenzylidene)-2-thioxothiazolidin-4-one, 3-Butyl-5-(3-nitro-benzylidene)-2-thioxo-thiazolidin-4-one, (5Z)-3-butyl-5-(3-nitrobenzylidene)-2-thioxo-1,3-thiazolidin-4-one, (5Z)-3-butyl-5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C14H14N2O3S2 |
|---|---|
| Molecular Weight | 322.04 g/mol |
| LogP | 3.5961 |
| Topological Polar Surface Area | 63.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 322.0446 |
| Heavy Atoms | 21 |
| Complexity | 628.4001 |
Chemical Identifiers
| CAS Number | 93758-75-9 |
|---|---|
| SMILES | CCCCN1C(=O)/C(=C/C2=CC(=CC=C2)[N+](=O)[O-])/SC1=S |
Product Overview
(5Z)-3-butyl-5-(3-nitrobenzylidene)-2-thioxo-1,3-thiazolidin-4-one (CAS 93758-75-9), with molecular formula C14H14N2O3S2 and molecular weight 322.04 g/mol. IUPAC: (5Z)-3-butyl-5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of (5Z)-3-butyl-5-(3-nitrobenzylidene)-2-thioxo-1,3-thiazolidin-4-one
Property Insights of (5Z)-3-butyl-5-(3-nitrobenzylidene)-2-thioxo-1,3-thiazolidin-4-one
The XLogP value of 3.5961 indicates that (5Z)-3-butyl-5-(3-nitrobenzylidene)-2-thioxo-1,3-thiazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.45 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-3-butyl-5-(3-nitrobenzylidene)-2-thioxo-1,3-thiazolidin-4-one. Following Lipinski's Rule of Five, (5Z)-3-butyl-5-(3-nitrobenzylidene)-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 (5Z)-3-butyl-5-(3-nitrobenzylidene)-2-thioxo-1,3-thiazolidin-4-one?
The CAS number of (5Z)-3-butyl-5-(3-nitrobenzylidene)-2-thioxo-1,3-thiazolidin-4-one is 93758-75-9.
What is the molecular formula of (5Z)-3-butyl-5-(3-nitrobenzylidene)-2-thioxo-1,3-thiazolidin-4-one?
The molecular formula of (5Z)-3-butyl-5-(3-nitrobenzylidene)-2-thioxo-1,3-thiazolidin-4-one is C14H14N2O3S2.
What is the molecular weight of (5Z)-3-butyl-5-(3-nitrobenzylidene)-2-thioxo-1,3-thiazolidin-4-one?
The molecular weight of (5Z)-3-butyl-5-(3-nitrobenzylidene)-2-thioxo-1,3-thiazolidin-4-one is 322.04 g/mol.
Where can I buy (5Z)-3-butyl-5-(3-nitrobenzylidene)-2-thioxo-1,3-thiazolidin-4-one?
You can request a quote for (5Z)-3-butyl-5-(3-nitrobenzylidene)-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 (5Z)-3-butyl-5-(3-nitrobenzylidene)-2-thioxo-1,3-thiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for (5Z)-3-butyl-5-(3-nitrobenzylidene)-2-thioxo-1,3-thiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.