![3-ethyl-5-{[5-nitro-2-(phenylsulfanyl)phenyl]methylene}-2-thioxo-1,3-thiazolan-4-one structure](/static/products/3290/329079-73-4.webp)
3-ethyl-5-{[5-nitro-2-(phenylsulfanyl)phenyl]methylene}-2-thioxo-1,3-thiazolan-4-one
TL;DR: 3-ethyl-5-{[5-nitro-2-(phenylsulfanyl)phenyl]methylene}-2-thioxo-1,3-thiazolan-4-one (CAS 329079-73-4) is a chemical compound with molecular formula C18H14N2O3S3 and molecular weight 402.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-5-[(5-nitro-2-phenylsulfanylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 3-ethyl-5-{[5-nitro-2-(phenylsulfanyl)phenyl]methylene}-2-thioxo-1,3-thiazolan-4-one, 3-ethyl-5-[(5-nitro-2-phenylsulfanyl-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 3-ethyl-5-[(5-nitro-2-phenylsulfanylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C18H14N2O3S3 |
|---|---|
| Molecular Weight | 402.02 g/mol |
| LogP | 4.9671 |
| Topological Polar Surface Area | 63.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.01666 |
| Heavy Atoms | 26 |
| Complexity | 913.1523 |
Chemical Identifiers
| CAS Number | 329079-73-4 |
|---|---|
| SMILES | CCN1C(=O)C(=CC2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=CC=C3)SC1=S |
Product Overview
3-ethyl-5-{[5-nitro-2-(phenylsulfanyl)phenyl]methylene}-2-thioxo-1,3-thiazolan-4-one (CAS 329079-73-4), with molecular formula C18H14N2O3S3 and molecular weight 402.02 g/mol. IUPAC: 3-ethyl-5-[(5-nitro-2-phenylsulfanylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 3-ethyl-5-{[5-nitro-2-(phenylsulfanyl)phenyl]methylene}-2-thioxo-1,3-thiazolan-4-one
Property Insights of 3-ethyl-5-{[5-nitro-2-(phenylsulfanyl)phenyl]methylene}-2-thioxo-1,3-thiazolan-4-one
The XLogP value of 4.9671 indicates that 3-ethyl-5-{[5-nitro-2-(phenylsulfanyl)phenyl]methylene}-2-thioxo-1,3-thiazolan-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 3-ethyl-5-{[5-nitro-2-(phenylsulfanyl)phenyl]methylene}-2-thioxo-1,3-thiazolan-4-one. Following Lipinski's Rule of Five, 3-ethyl-5-{[5-nitro-2-(phenylsulfanyl)phenyl]methylene}-2-thioxo-1,3-thiazolan-4-one has 0 hydrogen bond donor(s) and 6 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-ethyl-5-{[5-nitro-2-(phenylsulfanyl)phenyl]methylene}-2-thioxo-1,3-thiazolan-4-one?
The CAS number of 3-ethyl-5-{[5-nitro-2-(phenylsulfanyl)phenyl]methylene}-2-thioxo-1,3-thiazolan-4-one is 329079-73-4.
What is the molecular formula of 3-ethyl-5-{[5-nitro-2-(phenylsulfanyl)phenyl]methylene}-2-thioxo-1,3-thiazolan-4-one?
The molecular formula of 3-ethyl-5-{[5-nitro-2-(phenylsulfanyl)phenyl]methylene}-2-thioxo-1,3-thiazolan-4-one is C18H14N2O3S3.
What is the molecular weight of 3-ethyl-5-{[5-nitro-2-(phenylsulfanyl)phenyl]methylene}-2-thioxo-1,3-thiazolan-4-one?
The molecular weight of 3-ethyl-5-{[5-nitro-2-(phenylsulfanyl)phenyl]methylene}-2-thioxo-1,3-thiazolan-4-one is 402.02 g/mol.
Where can I buy 3-ethyl-5-{[5-nitro-2-(phenylsulfanyl)phenyl]methylene}-2-thioxo-1,3-thiazolan-4-one?
You can request a quote for 3-ethyl-5-{[5-nitro-2-(phenylsulfanyl)phenyl]methylene}-2-thioxo-1,3-thiazolan-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-ethyl-5-{[5-nitro-2-(phenylsulfanyl)phenyl]methylene}-2-thioxo-1,3-thiazolan-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-ethyl-5-{[5-nitro-2-(phenylsulfanyl)phenyl]methylene}-2-thioxo-1,3-thiazolan-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.