Ethyl 5-amino-3-thioxo-2,3-dihydro-1H-pyrazole-4-carboxylate
TL;DR: Ethyl 5-amino-3-thioxo-2,3-dihydro-1H-pyrazole-4-carboxylate (CAS 392672-02-5) is a chemical compound with molecular formula C6H9N3O2S and molecular weight 187.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-amino-5-sulfanylidene-1,2-dihydropyrazole-4-carboxylate
Also Known As: ethyl 3-amino-5-thioxo-3-pyrazoline-4-carboxylate, Ethyl 3-amino-5-sulfanylidene-1,2-dihydropyrazole-4-carboxylate, Ethyl 5-amino-3-thioxo-2,3-dihydro-1H-pyrazole-4-carboxylate, 1h-pyrazole-4-carboxylic acid,5-amino-2,3-dihydro-3-thioxo-,ethyl ester, 1H-Pyrazole-4-carboxylic acid, 5-amino-2,3-dihydro-3-thioxo-, ethyl ester (9CI)
| Molecular Formula | C6H9N3O2S |
|---|---|
| Molecular Weight | 187.04 g/mol |
| LogP | 0.83119 |
| Topological Polar Surface Area | 83.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.04155 |
| Heavy Atoms | 12 |
| Complexity | 340.80756 |
Chemical Identifiers
| CAS Number | 392672-02-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(NNC1=S)N |
Product Overview
Ethyl 5-amino-3-thioxo-2,3-dihydro-1H-pyrazole-4-carboxylate (CAS 392672-02-5), with molecular formula C6H9N3O2S and molecular weight 187.04 g/mol. IUPAC: ethyl 3-amino-5-sulfanylidene-1,2-dihydropyrazole-4-carboxylate.
Chemical Property Profile of Ethyl 5-amino-3-thioxo-2,3-dihydro-1H-pyrazole-4-carboxylate
Property Insights of Ethyl 5-amino-3-thioxo-2,3-dihydro-1H-pyrazole-4-carboxylate
The XLogP value of 0.83119 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-amino-3-thioxo-2,3-dihydro-1H-pyrazole-4-carboxylate. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-amino-3-thioxo-2,3-dihydro-1H-pyrazole-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-amino-3-thioxo-2,3-dihydro-1H-pyrazole-4-carboxylate has 3 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 5-amino-3-thioxo-2,3-dihydro-1H-pyrazole-4-carboxylate?
The CAS number of Ethyl 5-amino-3-thioxo-2,3-dihydro-1H-pyrazole-4-carboxylate is 392672-02-5.
What is the molecular formula of Ethyl 5-amino-3-thioxo-2,3-dihydro-1H-pyrazole-4-carboxylate?
The molecular formula of Ethyl 5-amino-3-thioxo-2,3-dihydro-1H-pyrazole-4-carboxylate is C6H9N3O2S.
What is the molecular weight of Ethyl 5-amino-3-thioxo-2,3-dihydro-1H-pyrazole-4-carboxylate?
The molecular weight of Ethyl 5-amino-3-thioxo-2,3-dihydro-1H-pyrazole-4-carboxylate is 187.04 g/mol.
Where can I buy Ethyl 5-amino-3-thioxo-2,3-dihydro-1H-pyrazole-4-carboxylate?
You can request a quote for Ethyl 5-amino-3-thioxo-2,3-dihydro-1H-pyrazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-amino-3-thioxo-2,3-dihydro-1H-pyrazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-amino-3-thioxo-2,3-dihydro-1H-pyrazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.