![Ethyl 2-[(carbamothioylhydrazinylidene)methyl]butanoate structure](/static/products/846/84669-06-7.png)
Ethyl 2-[(carbamothioylhydrazinylidene)methyl]butanoate
TL;DR: Ethyl 2-[(carbamothioylhydrazinylidene)methyl]butanoate (CAS 84669-06-7) 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 2-[(carbamothioylhydrazinylidene)methyl]butanoate
Also Known As: ethyl 2-[(carbamothioylhydrazinylidene)methyl]butanoate, ethyl 2-[(E)-(carbamothioylhydrazinylidene)methyl]butanoate
| 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 | 5 |
| Exact Mass | 217.0885 |
| Heavy Atoms | 14 |
| Complexity | 230.62628 |
Chemical Identifiers
| CAS Number | 84669-06-7 |
|---|---|
| SMILES | CCC(C=NNC(=S)N)C(=O)OCC |
Product Overview
Ethyl 2-[(carbamothioylhydrazinylidene)methyl]butanoate (CAS 84669-06-7), with molecular formula C8H15N3O2S and molecular weight 217.09 g/mol. IUPAC: ethyl 2-[(carbamothioylhydrazinylidene)methyl]butanoate.
Chemical Property Profile of Ethyl 2-[(carbamothioylhydrazinylidene)methyl]butanoate
Property Insights of Ethyl 2-[(carbamothioylhydrazinylidene)methyl]butanoate
The XLogP value of 0.3947 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[(carbamothioylhydrazinylidene)methyl]butanoate. The TPSA of 76.71 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[(carbamothioylhydrazinylidene)methyl]butanoate. Following Lipinski's Rule of Five, Ethyl 2-[(carbamothioylhydrazinylidene)methyl]butanoate 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 2-[(carbamothioylhydrazinylidene)methyl]butanoate?
The CAS number of Ethyl 2-[(carbamothioylhydrazinylidene)methyl]butanoate is 84669-06-7.
What is the molecular formula of Ethyl 2-[(carbamothioylhydrazinylidene)methyl]butanoate?
The molecular formula of Ethyl 2-[(carbamothioylhydrazinylidene)methyl]butanoate is C8H15N3O2S.
What is the molecular weight of Ethyl 2-[(carbamothioylhydrazinylidene)methyl]butanoate?
The molecular weight of Ethyl 2-[(carbamothioylhydrazinylidene)methyl]butanoate is 217.09 g/mol.
Where can I buy Ethyl 2-[(carbamothioylhydrazinylidene)methyl]butanoate?
You can request a quote for Ethyl 2-[(carbamothioylhydrazinylidene)methyl]butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[(carbamothioylhydrazinylidene)methyl]butanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[(carbamothioylhydrazinylidene)methyl]butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.