![Ethyl 3-[(aminocarbothioyl)hydrazono]-2-methylbutanoate structure](/static/products/607/607725-01-9.png)
Ethyl 3-[(aminocarbothioyl)hydrazono]-2-methylbutanoate
TL;DR: Ethyl 3-[(aminocarbothioyl)hydrazono]-2-methylbutanoate (CAS 607725-01-9) is a chemical compound with molecular formula C8H15N3O2S and molecular weight 217.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (3E)-3-(carbamothioylhydrazinylidene)-2-methylbutanoate
Also Known As: ethyl 3-[(aminocarbothioyl)hydrazono]-2-methylbutanoate, J1.693.529H, AN-329/40234901, 1-[1-(Ethoxycarbonyl)ethyl]ethanonethiosemicarbazone, ethyl (3E)-3-(carbamothioylhydrazinylidene)-2-methylbutanoate
| Molecular Formula | C8H15N3O2S |
|---|---|
| Molecular Weight | 217.09 g/mol |
| LogP | 0.3947 |
| Topological Polar Surface Area | 76.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 217.0885 |
| Heavy Atoms | 14 |
| Complexity | 252.97095 |
Chemical Identifiers
| CAS Number | 607725-01-9 |
|---|---|
| SMILES | CCOC(=O)C(C)/C(=N/NC(=S)N)/C |
Product Overview
Ethyl 3-[(aminocarbothioyl)hydrazono]-2-methylbutanoate (CAS 607725-01-9), with molecular formula C8H15N3O2S and molecular weight 217.09 g/mol. IUPAC: ethyl (3E)-3-(carbamothioylhydrazinylidene)-2-methylbutanoate.
Chemical Property Profile of Ethyl 3-[(aminocarbothioyl)hydrazono]-2-methylbutanoate
Property Insights of Ethyl 3-[(aminocarbothioyl)hydrazono]-2-methylbutanoate
The XLogP value of 0.3947 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-[(aminocarbothioyl)hydrazono]-2-methylbutanoate. The TPSA of 76.71 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-[(aminocarbothioyl)hydrazono]-2-methylbutanoate. Following Lipinski's Rule of Five, Ethyl 3-[(aminocarbothioyl)hydrazono]-2-methylbutanoate 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 Ethyl 3-[(aminocarbothioyl)hydrazono]-2-methylbutanoate?
The CAS number of Ethyl 3-[(aminocarbothioyl)hydrazono]-2-methylbutanoate is 607725-01-9.
What is the molecular formula of Ethyl 3-[(aminocarbothioyl)hydrazono]-2-methylbutanoate?
The molecular formula of Ethyl 3-[(aminocarbothioyl)hydrazono]-2-methylbutanoate is C8H15N3O2S.
What is the molecular weight of Ethyl 3-[(aminocarbothioyl)hydrazono]-2-methylbutanoate?
The molecular weight of Ethyl 3-[(aminocarbothioyl)hydrazono]-2-methylbutanoate is 217.09 g/mol.
Where can I buy Ethyl 3-[(aminocarbothioyl)hydrazono]-2-methylbutanoate?
You can request a quote for Ethyl 3-[(aminocarbothioyl)hydrazono]-2-methylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-[(aminocarbothioyl)hydrazono]-2-methylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-[(aminocarbothioyl)hydrazono]-2-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.