(2E)-2-(4-cyanobenzylidene)-N-(4-methylphenyl)hydrazinecarbothioamide
TL;DR: (2E)-2-(4-cyanobenzylidene)-N-(4-methylphenyl)hydrazinecarbothioamide (CAS 314764-46-0) 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.
1-[(E)-(4-cyanophenyl)methylideneamino]-3-(4-methylphenyl)thiourea
Also Known As: AN-329/40239137, (2E)-2-(4-cyanobenzylidene)-N-(4-methylphenyl)hydrazinecarbothioamide, 1-[(E)-(4-cyanophenyl)methylideneamino]-3-(4-methylphenyl)thiourea, 4-[2-(4-toluidinocarbothioyl)carbohydrazonoyl]benzonitrile, 4-(2-{[(4-methylphenyl)amino]carbonothioyl}carbonohydrazonoyl)benzonitrile
| Molecular Formula | C16H14N4S |
|---|---|
| Molecular Weight | 294.09 g/mol |
| LogP | 3.1872 |
| Topological Polar Surface Area | 60.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.0939 |
| Heavy Atoms | 21 |
| Complexity | 681.7121 |
Chemical Identifiers
| CAS Number | 314764-46-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=S)N/N=C/C2=CC=C(C=C2)C#N |
Product Overview
(2E)-2-(4-cyanobenzylidene)-N-(4-methylphenyl)hydrazinecarbothioamide (CAS 314764-46-0), with molecular formula C16H14N4S and molecular weight 294.09 g/mol. IUPAC: 1-[(E)-(4-cyanophenyl)methylideneamino]-3-(4-methylphenyl)thiourea.
Chemical Property Profile of (2E)-2-(4-cyanobenzylidene)-N-(4-methylphenyl)hydrazinecarbothioamide
Property Insights of (2E)-2-(4-cyanobenzylidene)-N-(4-methylphenyl)hydrazinecarbothioamide
The XLogP value of 3.1872 indicates that (2E)-2-(4-cyanobenzylidene)-N-(4-methylphenyl)hydrazinecarbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.21 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-(4-cyanobenzylidene)-N-(4-methylphenyl)hydrazinecarbothioamide. Following Lipinski's Rule of Five, (2E)-2-(4-cyanobenzylidene)-N-(4-methylphenyl)hydrazinecarbothioamide has 2 hydrogen bond donor(s) and 3 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 (2E)-2-(4-cyanobenzylidene)-N-(4-methylphenyl)hydrazinecarbothioamide?
The CAS number of (2E)-2-(4-cyanobenzylidene)-N-(4-methylphenyl)hydrazinecarbothioamide is 314764-46-0.
What is the molecular formula of (2E)-2-(4-cyanobenzylidene)-N-(4-methylphenyl)hydrazinecarbothioamide?
The molecular formula of (2E)-2-(4-cyanobenzylidene)-N-(4-methylphenyl)hydrazinecarbothioamide is C16H14N4S.
What is the molecular weight of (2E)-2-(4-cyanobenzylidene)-N-(4-methylphenyl)hydrazinecarbothioamide?
The molecular weight of (2E)-2-(4-cyanobenzylidene)-N-(4-methylphenyl)hydrazinecarbothioamide is 294.09 g/mol.
Where can I buy (2E)-2-(4-cyanobenzylidene)-N-(4-methylphenyl)hydrazinecarbothioamide?
You can request a quote for (2E)-2-(4-cyanobenzylidene)-N-(4-methylphenyl)hydrazinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-2-(4-cyanobenzylidene)-N-(4-methylphenyl)hydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-(4-cyanobenzylidene)-N-(4-methylphenyl)hydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.