Ethyl 3-(carbamothioylhydrazinylidene)-2-ethylbutanoate
TL;DR: Ethyl 3-(carbamothioylhydrazinylidene)-2-ethylbutanoate (CAS 87610-70-6) is a chemical compound with molecular formula C9H17N3O2S and molecular weight 231.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(carbamothioylhydrazinylidene)-2-ethylbutanoate
Also Known As: ethyl 3-(carbamothioylhydrazinylidene)-2-ethylbutanoate, ethyl (3Z)-3-(carbamothioylhydrazinylidene)-2-ethylbutanoate
| Molecular Formula | C9H17N3O2S |
|---|---|
| Molecular Weight | 231.10 g/mol |
| LogP | 0.7848 |
| Topological Polar Surface Area | 76.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 231.10414 |
| Heavy Atoms | 15 |
| Complexity | 266.08307 |
Chemical Identifiers
| CAS Number | 87610-70-6 |
|---|---|
| SMILES | CCC(C(=NNC(=S)N)C)C(=O)OCC |
Product Overview
Ethyl 3-(carbamothioylhydrazinylidene)-2-ethylbutanoate (CAS 87610-70-6), with molecular formula C9H17N3O2S and molecular weight 231.10 g/mol. IUPAC: ethyl 3-(carbamothioylhydrazinylidene)-2-ethylbutanoate.
Chemical Property Profile of Ethyl 3-(carbamothioylhydrazinylidene)-2-ethylbutanoate
Property Insights of Ethyl 3-(carbamothioylhydrazinylidene)-2-ethylbutanoate
The XLogP value of 0.7848 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(carbamothioylhydrazinylidene)-2-ethylbutanoate. The TPSA of 76.71 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(carbamothioylhydrazinylidene)-2-ethylbutanoate. Following Lipinski's Rule of Five, Ethyl 3-(carbamothioylhydrazinylidene)-2-ethylbutanoate 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-(carbamothioylhydrazinylidene)-2-ethylbutanoate?
The CAS number of Ethyl 3-(carbamothioylhydrazinylidene)-2-ethylbutanoate is 87610-70-6.
What is the molecular formula of Ethyl 3-(carbamothioylhydrazinylidene)-2-ethylbutanoate?
The molecular formula of Ethyl 3-(carbamothioylhydrazinylidene)-2-ethylbutanoate is C9H17N3O2S.
What is the molecular weight of Ethyl 3-(carbamothioylhydrazinylidene)-2-ethylbutanoate?
The molecular weight of Ethyl 3-(carbamothioylhydrazinylidene)-2-ethylbutanoate is 231.10 g/mol.
Where can I buy Ethyl 3-(carbamothioylhydrazinylidene)-2-ethylbutanoate?
You can request a quote for Ethyl 3-(carbamothioylhydrazinylidene)-2-ethylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(carbamothioylhydrazinylidene)-2-ethylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(carbamothioylhydrazinylidene)-2-ethylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.