(Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-(2-nitrobenzylidene)-2-thioxothiazolidin-4-one
TL;DR: (Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-(2-nitrobenzylidene)-2-thioxothiazolidin-4-one (CAS 608120-45-2) is a chemical compound with molecular formula C14H12N2O5S3 and molecular weight 383.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-(1,1-dioxothiolan-3-yl)-5-[(2-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-(2-nitrobenzylidene)-2-thioxothiazolidin-4-one, 3-(1,1-dioxidotetrahydro-3-thienyl)-5-(2-nitrobenzylidene)-2-thioxo-1,3-thiazolidin-4-one, (5Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-(2-nitrobenzylidene)-2-thioxo-1,3-thiazolidin-4-one, (5Z)-3-(1,1-dioxothiolan-3-yl)-5-[(2-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C14H12N2O5S3 |
|---|---|
| Molecular Weight | 383.99 g/mol |
| LogP | 1.9831 |
| Topological Polar Surface Area | 97.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 383.99084 |
| Heavy Atoms | 24 |
| Complexity | 878.15106 |
Chemical Identifiers
| CAS Number | 608120-45-2 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1N2C(=O)/C(=C/C3=CC=CC=C3[N+](=O)[O-])/SC2=S |
Product Overview
(Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-(2-nitrobenzylidene)-2-thioxothiazolidin-4-one (CAS 608120-45-2), with molecular formula C14H12N2O5S3 and molecular weight 383.99 g/mol. IUPAC: (5Z)-3-(1,1-dioxothiolan-3-yl)-5-[(2-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of (Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-(2-nitrobenzylidene)-2-thioxothiazolidin-4-one
Property Insights of (Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-(2-nitrobenzylidene)-2-thioxothiazolidin-4-one
The XLogP value of 1.9831 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-(2-nitrobenzylidene)-2-thioxothiazolidin-4-one. The TPSA of 97.59 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-(2-nitrobenzylidene)-2-thioxothiazolidin-4-one. Following Lipinski's Rule of Five, (Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-(2-nitrobenzylidene)-2-thioxothiazolidin-4-one has 0 hydrogen bond donor(s) and 7 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 (Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-(2-nitrobenzylidene)-2-thioxothiazolidin-4-one?
The CAS number of (Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-(2-nitrobenzylidene)-2-thioxothiazolidin-4-one is 608120-45-2.
What is the molecular formula of (Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-(2-nitrobenzylidene)-2-thioxothiazolidin-4-one?
The molecular formula of (Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-(2-nitrobenzylidene)-2-thioxothiazolidin-4-one is C14H12N2O5S3.
What is the molecular weight of (Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-(2-nitrobenzylidene)-2-thioxothiazolidin-4-one?
The molecular weight of (Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-(2-nitrobenzylidene)-2-thioxothiazolidin-4-one is 383.99 g/mol.
Where can I buy (Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-(2-nitrobenzylidene)-2-thioxothiazolidin-4-one?
You can request a quote for (Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-(2-nitrobenzylidene)-2-thioxothiazolidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-(2-nitrobenzylidene)-2-thioxothiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-(2-nitrobenzylidene)-2-thioxothiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.