Ethyl 3-(2-carbamothioylhydrazinylidene)butanoate
TL;DR: Ethyl 3-(2-carbamothioylhydrazinylidene)butanoate (CAS 1118-76-9) is a chemical compound with molecular formula C7H13N3O2S and molecular weight 203.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(carbamothioylhydrazinylidene)butanoate
Also Known As: 3-thiosemicarbazono-butyric acid ethyl ester, ethyl 3-(carbamothioylhydrazinylidene)butanoate, Acetoacetic acid, thiosemicarbazone, ethyl ester, Ethyl 3-(2-carbamothioylhydrazinylidene)butanoate, ethyl 3-[(aminocarbonothioyl)hydrazono]butanoate
| Molecular Formula | C7H13N3O2S |
|---|---|
| Molecular Weight | 203.07 g/mol |
| LogP | 0.1487 |
| Topological Polar Surface Area | 76.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 203.07285 |
| Heavy Atoms | 13 |
| Complexity | 227.77754 |
Chemical Identifiers
| CAS Number | 1118-76-9 |
|---|---|
| SMILES | CCOC(=O)CC(=NNC(=S)N)C |
Product Overview
Ethyl 3-(2-carbamothioylhydrazinylidene)butanoate (CAS 1118-76-9), with molecular formula C7H13N3O2S and molecular weight 203.07 g/mol. IUPAC: ethyl 3-(carbamothioylhydrazinylidene)butanoate.
Chemical Property Profile of Ethyl 3-(2-carbamothioylhydrazinylidene)butanoate
Property Insights of Ethyl 3-(2-carbamothioylhydrazinylidene)butanoate
The XLogP value of 0.1487 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(2-carbamothioylhydrazinylidene)butanoate. The TPSA of 76.71 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(2-carbamothioylhydrazinylidene)butanoate. Following Lipinski's Rule of Five, Ethyl 3-(2-carbamothioylhydrazinylidene)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 3-(2-carbamothioylhydrazinylidene)butanoate?
The CAS number of Ethyl 3-(2-carbamothioylhydrazinylidene)butanoate is 1118-76-9.
What is the molecular formula of Ethyl 3-(2-carbamothioylhydrazinylidene)butanoate?
The molecular formula of Ethyl 3-(2-carbamothioylhydrazinylidene)butanoate is C7H13N3O2S.
What is the molecular weight of Ethyl 3-(2-carbamothioylhydrazinylidene)butanoate?
The molecular weight of Ethyl 3-(2-carbamothioylhydrazinylidene)butanoate is 203.07 g/mol.
Where can I buy Ethyl 3-(2-carbamothioylhydrazinylidene)butanoate?
You can request a quote for Ethyl 3-(2-carbamothioylhydrazinylidene)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(2-carbamothioylhydrazinylidene)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(2-carbamothioylhydrazinylidene)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.