Ethyl pyruvatethiosemicarbazone
TL;DR: Ethyl pyruvatethiosemicarbazone (CAS 1114-98-3) is a chemical compound with molecular formula C6H11N3O2S and molecular weight 189.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(carbamothioylhydrazinylidene)propanoate
Also Known As: ethyl pyruvatethiosemicarbazone, ethyl 2-(carbamothioylhydrazinylidene)propanoate, Propanoic acid,2-[2-(aminothioxomethyl)hydrazinylidene]-, ethyl ester
| Molecular Formula | C6H11N3O2S |
|---|---|
| Molecular Weight | 189.06 g/mol |
| LogP | -0.2414 |
| Topological Polar Surface Area | 76.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 189.0572 |
| Heavy Atoms | 12 |
| Complexity | 214.83873 |
Chemical Identifiers
| CAS Number | 1114-98-3 |
|---|---|
| SMILES | CCOC(=O)C(=NNC(=S)N)C |
Product Overview
Ethyl pyruvatethiosemicarbazone (CAS 1114-98-3), with molecular formula C6H11N3O2S and molecular weight 189.06 g/mol. IUPAC: ethyl 2-(carbamothioylhydrazinylidene)propanoate.
Chemical Property Profile of Ethyl pyruvatethiosemicarbazone
Property Insights of Ethyl pyruvatethiosemicarbazone
The XLogP value of -0.2414 indicates that Ethyl pyruvatethiosemicarbazone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 76.71 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl pyruvatethiosemicarbazone. Following Lipinski's Rule of Five, Ethyl pyruvatethiosemicarbazone 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 pyruvatethiosemicarbazone?
The CAS number of Ethyl pyruvatethiosemicarbazone is 1114-98-3.
What is the molecular formula of Ethyl pyruvatethiosemicarbazone?
The molecular formula of Ethyl pyruvatethiosemicarbazone is C6H11N3O2S.
What is the molecular weight of Ethyl pyruvatethiosemicarbazone?
The molecular weight of Ethyl pyruvatethiosemicarbazone is 189.06 g/mol.
Where can I buy Ethyl pyruvatethiosemicarbazone?
You can request a quote for Ethyl pyruvatethiosemicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl pyruvatethiosemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for Ethyl pyruvatethiosemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.