Ethanethioamide, 2-cyano-2-(3-fluorophenylhydrazono)-
TL;DR: Ethanethioamide, 2-cyano-2-(3-fluorophenylhydrazono)- (CAS 799799-76-1) is a chemical compound with molecular formula C9H7FN4S and molecular weight 222.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1E)-2-amino-N-(3-fluoroanilino)-2-sulfanylideneethanimidoyl cyanide
Also Known As: Ethanethioamide, 2-cyano-2-(3-fluorophenylhydrazono)-, (2E)-2-Cyano-2-[(3-fluorophenyl)hydrazono]ethanethioamide #, (E)-2-amino-N'-(3-fluorophenyl)-2-thioxoacetohydrazonoyl cyanide, (1E)-2-amino-N-(3-fluoroanilino)-2-sulfanylideneethanimidoyl cyanide
| Molecular Formula | C9H7FN4S |
|---|---|
| Molecular Weight | 222.04 g/mol |
| LogP | 1.40328 |
| Topological Polar Surface Area | 74.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.03755 |
| Heavy Atoms | 15 |
| Complexity | 449.67072 |
Chemical Identifiers
| CAS Number | 799799-76-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)N/N=C(\C#N)/C(=S)N |
Product Overview
Ethanethioamide, 2-cyano-2-(3-fluorophenylhydrazono)- (CAS 799799-76-1), with molecular formula C9H7FN4S and molecular weight 222.04 g/mol. IUPAC: (1E)-2-amino-N-(3-fluoroanilino)-2-sulfanylideneethanimidoyl cyanide.
Chemical Property Profile of Ethanethioamide, 2-cyano-2-(3-fluorophenylhydrazono)-
Property Insights of Ethanethioamide, 2-cyano-2-(3-fluorophenylhydrazono)-
The XLogP value of 1.40328 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanethioamide, 2-cyano-2-(3-fluorophenylhydrazono)-. The TPSA of 74.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanethioamide, 2-cyano-2-(3-fluorophenylhydrazono)-. Following Lipinski's Rule of Five, Ethanethioamide, 2-cyano-2-(3-fluorophenylhydrazono)- has 2 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 Ethanethioamide, 2-cyano-2-(3-fluorophenylhydrazono)-?
The CAS number of Ethanethioamide, 2-cyano-2-(3-fluorophenylhydrazono)- is 799799-76-1.
What is the molecular formula of Ethanethioamide, 2-cyano-2-(3-fluorophenylhydrazono)-?
The molecular formula of Ethanethioamide, 2-cyano-2-(3-fluorophenylhydrazono)- is C9H7FN4S.
What is the molecular weight of Ethanethioamide, 2-cyano-2-(3-fluorophenylhydrazono)-?
The molecular weight of Ethanethioamide, 2-cyano-2-(3-fluorophenylhydrazono)- is 222.04 g/mol.
Where can I buy Ethanethioamide, 2-cyano-2-(3-fluorophenylhydrazono)-?
You can request a quote for Ethanethioamide, 2-cyano-2-(3-fluorophenylhydrazono)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanethioamide, 2-cyano-2-(3-fluorophenylhydrazono)-?
Yes, KEHONG BIO provides custom synthesis services for Ethanethioamide, 2-cyano-2-(3-fluorophenylhydrazono)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.