Benzyl 2-cyano-2-(phenylhydrazinylidene)ethanimidothioate
TL;DR: Benzyl 2-cyano-2-(phenylhydrazinylidene)ethanimidothioate (CAS 86017-95-0) is a chemical compound with molecular formula C16H14N4S and molecular weight 294.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-cyano-2-(phenylhydrazinylidene)ethanimidothioate
Also Known As: benzyl 2-cyano-2-(phenylhydrazono)ethanimidothioate, benzyl 2-cyano-2-(phenylhydrazinylidene)ethanimidothioate
| Molecular Formula | C16H14N4S |
|---|---|
| Molecular Weight | 294.09 g/mol |
| LogP | 3.88875 |
| Topological Polar Surface Area | 72.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 294.0939 |
| Heavy Atoms | 21 |
| Complexity | 659.6813 |
Chemical Identifiers
| CAS Number | 86017-95-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC(=N)C(=NNC2=CC=CC=C2)C#N |
Product Overview
Benzyl 2-cyano-2-(phenylhydrazinylidene)ethanimidothioate (CAS 86017-95-0), with molecular formula C16H14N4S and molecular weight 294.09 g/mol. IUPAC: benzyl 2-cyano-2-(phenylhydrazinylidene)ethanimidothioate.
Chemical Property Profile of Benzyl 2-cyano-2-(phenylhydrazinylidene)ethanimidothioate
Property Insights of Benzyl 2-cyano-2-(phenylhydrazinylidene)ethanimidothioate
The XLogP value of 3.88875 indicates that Benzyl 2-cyano-2-(phenylhydrazinylidene)ethanimidothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.03 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl 2-cyano-2-(phenylhydrazinylidene)ethanimidothioate. Following Lipinski's Rule of Five, Benzyl 2-cyano-2-(phenylhydrazinylidene)ethanimidothioate has 2 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 Benzyl 2-cyano-2-(phenylhydrazinylidene)ethanimidothioate?
The CAS number of Benzyl 2-cyano-2-(phenylhydrazinylidene)ethanimidothioate is 86017-95-0.
What is the molecular formula of Benzyl 2-cyano-2-(phenylhydrazinylidene)ethanimidothioate?
The molecular formula of Benzyl 2-cyano-2-(phenylhydrazinylidene)ethanimidothioate is C16H14N4S.
What is the molecular weight of Benzyl 2-cyano-2-(phenylhydrazinylidene)ethanimidothioate?
The molecular weight of Benzyl 2-cyano-2-(phenylhydrazinylidene)ethanimidothioate is 294.09 g/mol.
Where can I buy Benzyl 2-cyano-2-(phenylhydrazinylidene)ethanimidothioate?
You can request a quote for Benzyl 2-cyano-2-(phenylhydrazinylidene)ethanimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 2-cyano-2-(phenylhydrazinylidene)ethanimidothioate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 2-cyano-2-(phenylhydrazinylidene)ethanimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.