![4-[2-(1-Ethenyl-5-nitroimidazol-2-yl)ethenyl]benzenecarbothioamide structure](/static/products/4155/41552-56-1.webp)
4-[2-(1-Ethenyl-5-nitroimidazol-2-yl)ethenyl]benzenecarbothioamide
TL;DR: 4-[2-(1-Ethenyl-5-nitroimidazol-2-yl)ethenyl]benzenecarbothioamide (CAS 41552-56-1) is a chemical compound with molecular formula C14H12N4O2S and molecular weight 300.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzenecarbothioamide
Also Known As: 4-[(E)-2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzenecarb, 4-[2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzenecarbothioamide
| Molecular Formula | C14H12N4O2S |
|---|---|
| Molecular Weight | 300.07 g/mol |
| LogP | 2.6964 |
| Topological Polar Surface Area | 86.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 300.06808 |
| Heavy Atoms | 21 |
| Complexity | 731.9323 |
Chemical Identifiers
| CAS Number | 41552-56-1 |
|---|---|
| SMILES | C=CN1C(=CN=C1C=CC2=CC=C(C=C2)C(=S)N)[N+](=O)[O-] |
Product Overview
4-[2-(1-Ethenyl-5-nitroimidazol-2-yl)ethenyl]benzenecarbothioamide (CAS 41552-56-1), with molecular formula C14H12N4O2S and molecular weight 300.07 g/mol. IUPAC: 4-[2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzenecarbothioamide.
Chemical Property Profile of 4-[2-(1-Ethenyl-5-nitroimidazol-2-yl)ethenyl]benzenecarbothioamide
Property Insights of 4-[2-(1-Ethenyl-5-nitroimidazol-2-yl)ethenyl]benzenecarbothioamide
The XLogP value of 2.6964 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[2-(1-Ethenyl-5-nitroimidazol-2-yl)ethenyl]benzenecarbothioamide. The TPSA of 86.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[2-(1-Ethenyl-5-nitroimidazol-2-yl)ethenyl]benzenecarbothioamide. Following Lipinski's Rule of Five, 4-[2-(1-Ethenyl-5-nitroimidazol-2-yl)ethenyl]benzenecarbothioamide has 1 hydrogen bond donor(s) and 4 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 4-[2-(1-Ethenyl-5-nitroimidazol-2-yl)ethenyl]benzenecarbothioamide?
The CAS number of 4-[2-(1-Ethenyl-5-nitroimidazol-2-yl)ethenyl]benzenecarbothioamide is 41552-56-1.
What is the molecular formula of 4-[2-(1-Ethenyl-5-nitroimidazol-2-yl)ethenyl]benzenecarbothioamide?
The molecular formula of 4-[2-(1-Ethenyl-5-nitroimidazol-2-yl)ethenyl]benzenecarbothioamide is C14H12N4O2S.
What is the molecular weight of 4-[2-(1-Ethenyl-5-nitroimidazol-2-yl)ethenyl]benzenecarbothioamide?
The molecular weight of 4-[2-(1-Ethenyl-5-nitroimidazol-2-yl)ethenyl]benzenecarbothioamide is 300.07 g/mol.
Where can I buy 4-[2-(1-Ethenyl-5-nitroimidazol-2-yl)ethenyl]benzenecarbothioamide?
You can request a quote for 4-[2-(1-Ethenyl-5-nitroimidazol-2-yl)ethenyl]benzenecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[2-(1-Ethenyl-5-nitroimidazol-2-yl)ethenyl]benzenecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-(1-Ethenyl-5-nitroimidazol-2-yl)ethenyl]benzenecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.