Ethanone, 1-(2-(5-nitro-2-thienyl)-4-thiazolyl)-
TL;DR: Ethanone, 1-(2-(5-nitro-2-thienyl)-4-thiazolyl)- (CAS 3695-89-4) is a chemical compound with molecular formula C9H6N2O3S2 and molecular weight 253.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(5-nitrothiophen-2-yl)-1,3-thiazol-4-yl]ethanone
Also Known As: 1,3-Adamantan-diacetylchlorid, 2-(5-Nitro-2-thienyl)-4-acetylthiazole, Ethanone, 1-(2-(5-nitro-2-thienyl)-4-thiazolyl)-, 1-(2-(5-Nitro-2-thienyl)-4-thiazolyl)ethanone, 1-[2-(5-nitrothiophen-2-yl)-1,3-thiazol-4-yl]ethanone
| Molecular Formula | C9H6N2O3S2 |
|---|---|
| Molecular Weight | 253.98 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.98198 |
| Heavy Atoms | 16 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 3695-89-4 |
|---|---|
| SMILES | CC(=O)C1=CSC(=N1)C2=CC=C(S2)[N+](=O)[O-] |
| InChIKey | AVTRLXYDXJLMQR-UHFFFAOYSA-N |
Product Overview
Ethanone, 1-(2-(5-nitro-2-thienyl)-4-thiazolyl)- (CAS 3695-89-4), with molecular formula C9H6N2O3S2 and molecular weight 253.98 g/mol. IUPAC: 1-[2-(5-nitrothiophen-2-yl)-1,3-thiazol-4-yl]ethanone.
Chemical Property Profile of Ethanone, 1-(2-(5-nitro-2-thienyl)-4-thiazolyl)-
Property Insights of Ethanone, 1-(2-(5-nitro-2-thienyl)-4-thiazolyl)-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanone, 1-(2-(5-nitro-2-thienyl)-4-thiazolyl)-. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanone, 1-(2-(5-nitro-2-thienyl)-4-thiazolyl)-. Following Lipinski's Rule of Five, Ethanone, 1-(2-(5-nitro-2-thienyl)-4-thiazolyl)- 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 Ethanone, 1-(2-(5-nitro-2-thienyl)-4-thiazolyl)-?
The CAS number of Ethanone, 1-(2-(5-nitro-2-thienyl)-4-thiazolyl)- is 3695-89-4.
What is the molecular formula of Ethanone, 1-(2-(5-nitro-2-thienyl)-4-thiazolyl)-?
The molecular formula of Ethanone, 1-(2-(5-nitro-2-thienyl)-4-thiazolyl)- is C9H6N2O3S2.
What is the molecular weight of Ethanone, 1-(2-(5-nitro-2-thienyl)-4-thiazolyl)-?
The molecular weight of Ethanone, 1-(2-(5-nitro-2-thienyl)-4-thiazolyl)- is 253.98 g/mol.
Where can I buy Ethanone, 1-(2-(5-nitro-2-thienyl)-4-thiazolyl)-?
You can request a quote for Ethanone, 1-(2-(5-nitro-2-thienyl)-4-thiazolyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 1-(2-(5-nitro-2-thienyl)-4-thiazolyl)-?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 1-(2-(5-nitro-2-thienyl)-4-thiazolyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.