(5E)-2-mercapto-5-(2-nitrobenzylidene)-1,3-thiazol-4(5H)-one
TL;DR: (5E)-2-mercapto-5-(2-nitrobenzylidene)-1,3-thiazol-4(5H)-one (CAS 1220624-75-8) is a chemical compound with molecular formula C10H6N2O3S2 and molecular weight 265.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(2-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: AKOS B018304, AKOS B018304?, (5E)-2-mercapto-5-(2-nitrobenzylidene)-1,3-thiazol-4(5H)-one, (5Z)-5-[(2-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, BIM-0016962.P001
| Molecular Formula | C10H6N2O3S2 |
|---|---|
| Molecular Weight | 265.98 g/mol |
| LogP | 2.0836 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 265.982 |
| Heavy Atoms | 17 |
| Complexity | 554.23694 |
Chemical Identifiers
| CAS Number | 1220624-75-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)/C=C\2/C(=O)NC(=S)S2)[N+](=O)[O-] |
Product Overview
(5E)-2-mercapto-5-(2-nitrobenzylidene)-1,3-thiazol-4(5H)-one (CAS 1220624-75-8), with molecular formula C10H6N2O3S2 and molecular weight 265.98 g/mol. IUPAC: (5Z)-5-[(2-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of (5E)-2-mercapto-5-(2-nitrobenzylidene)-1,3-thiazol-4(5H)-one
Property Insights of (5E)-2-mercapto-5-(2-nitrobenzylidene)-1,3-thiazol-4(5H)-one
The XLogP value of 2.0836 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-2-mercapto-5-(2-nitrobenzylidene)-1,3-thiazol-4(5H)-one. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-2-mercapto-5-(2-nitrobenzylidene)-1,3-thiazol-4(5H)-one. Following Lipinski's Rule of Five, (5E)-2-mercapto-5-(2-nitrobenzylidene)-1,3-thiazol-4(5H)-one has 1 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 (5E)-2-mercapto-5-(2-nitrobenzylidene)-1,3-thiazol-4(5H)-one?
The CAS number of (5E)-2-mercapto-5-(2-nitrobenzylidene)-1,3-thiazol-4(5H)-one is 1220624-75-8.
What is the molecular formula of (5E)-2-mercapto-5-(2-nitrobenzylidene)-1,3-thiazol-4(5H)-one?
The molecular formula of (5E)-2-mercapto-5-(2-nitrobenzylidene)-1,3-thiazol-4(5H)-one is C10H6N2O3S2.
What is the molecular weight of (5E)-2-mercapto-5-(2-nitrobenzylidene)-1,3-thiazol-4(5H)-one?
The molecular weight of (5E)-2-mercapto-5-(2-nitrobenzylidene)-1,3-thiazol-4(5H)-one is 265.98 g/mol.
Where can I buy (5E)-2-mercapto-5-(2-nitrobenzylidene)-1,3-thiazol-4(5H)-one?
You can request a quote for (5E)-2-mercapto-5-(2-nitrobenzylidene)-1,3-thiazol-4(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5E)-2-mercapto-5-(2-nitrobenzylidene)-1,3-thiazol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for (5E)-2-mercapto-5-(2-nitrobenzylidene)-1,3-thiazol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.