(2E)-2-benzylidene-1-(2-cyanoethyl)hydrazinecarbothioamide
TL;DR: (2E)-2-benzylidene-1-(2-cyanoethyl)hydrazinecarbothioamide (CAS 14791-09-4) is a chemical compound with molecular formula C11H12N4S and molecular weight 232.07826 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(E)-benzylideneamino]-1-(2-cyanoethyl)thiourea
Also Known As: AN-038/13655001, 1-[(E)-benzylideneamino]-1-(2-cyanoethyl)thiourea, (2E)-2-benzylidene-1-(2-cyanoethyl)hydrazinecarbothioamide, (E)-2-benzylidene-1-(2-cyanoethyl)hydrazinecarbothioamide, (2e)-2-benzylidene-1-(2-cyanoethyl)hydrazine-1-carbothioamide
Technical Specifications
| Molecular Formula | C11H12N4S |
| Molecular Weight | 232.07826 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 97.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 232.07826 Da |
| Heavy Atoms | 16 |
| Complexity | 298.0 |
| SMILES | C1=CC=C(C=C1)/C=N/N(CCC#N)C(=S)N |
| InChIKey | SVJYPCKRPNYOBS-NTEUORMPSA-N |
Chemical Property Profile of (2E)-2-benzylidene-1-(2-cyanoethyl)hydrazinecarbothioamide
Property Insights of (2E)-2-benzylidene-1-(2-cyanoethyl)hydrazinecarbothioamide
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-2-benzylidene-1-(2-cyanoethyl)hydrazinecarbothioamide. The TPSA of 97.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-benzylidene-1-(2-cyanoethyl)hydrazinecarbothioamide. Following Lipinski's Rule of Five, (2E)-2-benzylidene-1-(2-cyanoethyl)hydrazinecarbothioamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (2E)-2-benzylidene-1-(2-cyanoethyl)hydrazinecarbothioamide?
The CAS number of (2E)-2-benzylidene-1-(2-cyanoethyl)hydrazinecarbothioamide is 14791-09-4.
What is the molecular formula of (2E)-2-benzylidene-1-(2-cyanoethyl)hydrazinecarbothioamide?
The molecular formula of (2E)-2-benzylidene-1-(2-cyanoethyl)hydrazinecarbothioamide is C11H12N4S.
What is the molecular weight of (2E)-2-benzylidene-1-(2-cyanoethyl)hydrazinecarbothioamide?
The molecular weight of (2E)-2-benzylidene-1-(2-cyanoethyl)hydrazinecarbothioamide is 232.07826 g/mol.
Where can I buy (2E)-2-benzylidene-1-(2-cyanoethyl)hydrazinecarbothioamide?
You can request a quote for (2E)-2-benzylidene-1-(2-cyanoethyl)hydrazinecarbothioamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2E)-2-benzylidene-1-(2-cyanoethyl)hydrazinecarbothioamide?
Yes, CoreyChem provides custom synthesis services for (2E)-2-benzylidene-1-(2-cyanoethyl)hydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.