Ethyl 4-amino-3-(3-nitrophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate
TL;DR: Ethyl 4-amino-3-(3-nitrophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate (CAS 688337-70-4) is a chemical compound with molecular formula C12H11N3O4S2 and molecular weight 325.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-amino-3-(3-nitrophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate
Also Known As: Ethyl 4-amino-3-(3-nitrophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate, ethyl 4-amino-3-(3-nitrophenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate, ethyl 4-amino-3-(3-nitrophenyl)-2-thioxo-2,3-dihydrothiazole-5-carboxylate, F0921-6837
| Molecular Formula | C12H11N3O4S2 |
|---|---|
| Molecular Weight | 325.02 g/mol |
| LogP | 2.93539 |
| Topological Polar Surface Area | 100.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.0191 |
| Heavy Atoms | 21 |
| Complexity | 766.1033 |
Chemical Identifiers
| CAS Number | 688337-70-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C(=S)S1)C2=CC(=CC=C2)[N+](=O)[O-])N |
Product Overview
Ethyl 4-amino-3-(3-nitrophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate (CAS 688337-70-4), with molecular formula C12H11N3O4S2 and molecular weight 325.02 g/mol. IUPAC: ethyl 4-amino-3-(3-nitrophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate.
Chemical Property Profile of Ethyl 4-amino-3-(3-nitrophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate
Property Insights of Ethyl 4-amino-3-(3-nitrophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate
The XLogP value of 2.93539 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-amino-3-(3-nitrophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate. The TPSA of 100.39 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-amino-3-(3-nitrophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-amino-3-(3-nitrophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate has 1 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 Ethyl 4-amino-3-(3-nitrophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate?
The CAS number of Ethyl 4-amino-3-(3-nitrophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate is 688337-70-4.
What is the molecular formula of Ethyl 4-amino-3-(3-nitrophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate?
The molecular formula of Ethyl 4-amino-3-(3-nitrophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate is C12H11N3O4S2.
What is the molecular weight of Ethyl 4-amino-3-(3-nitrophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate?
The molecular weight of Ethyl 4-amino-3-(3-nitrophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate is 325.02 g/mol.
Where can I buy Ethyl 4-amino-3-(3-nitrophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate?
You can request a quote for Ethyl 4-amino-3-(3-nitrophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-amino-3-(3-nitrophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-amino-3-(3-nitrophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.