![ethyl 5-{[(tert-butylamino)carbothioyl]amino}-1-methyl-1H-pyrazole-4-carboxylate structure](/static/products/956/956441-35-3.png)
ethyl 5-{[(tert-butylamino)carbothioyl]amino}-1-methyl-1H-pyrazole-4-carboxylate
TL;DR: ethyl 5-{[(tert-butylamino)carbothioyl]amino}-1-methyl-1H-pyrazole-4-carboxylate (CAS 956441-35-3) is a chemical compound with molecular formula C12H20N4O2S and molecular weight 284.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(tert-butylcarbamothioylamino)-1-methylpyrazole-4-carboxylate
Also Known As: ethyl 5-(tert-butylcarbamothioylamino)-1-methylpyrazole-4-carboxylate, ethyl 5-{[(tert-butylamino)carbothioyl]amino}-1-methyl-1H-pyrazole-4-carboxylate, 5T-0021, ethyl 5-[(tert-butylcarbamothioyl)amino]-1-methyl-1H-pyrazole-4-carboxylate, Ethyl 1-methyl-5-(tert-butylthiocarbamoylamino)pyrazole-4-carboxylate
| Molecular Formula | C12H20N4O2S |
|---|---|
| Molecular Weight | 284.13 g/mol |
| LogP | 1.6817 |
| Topological Polar Surface Area | 68.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.1307 |
| Heavy Atoms | 19 |
| Complexity | 476.5642 |
Chemical Identifiers
| CAS Number | 956441-35-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=C1)C)NC(=S)NC(C)(C)C |
Product Overview
ethyl 5-{[(tert-butylamino)carbothioyl]amino}-1-methyl-1H-pyrazole-4-carboxylate (CAS 956441-35-3), with molecular formula C12H20N4O2S and molecular weight 284.13 g/mol. IUPAC: ethyl 5-(tert-butylcarbamothioylamino)-1-methylpyrazole-4-carboxylate.
Chemical Property Profile of ethyl 5-{[(tert-butylamino)carbothioyl]amino}-1-methyl-1H-pyrazole-4-carboxylate
Property Insights of ethyl 5-{[(tert-butylamino)carbothioyl]amino}-1-methyl-1H-pyrazole-4-carboxylate
The XLogP value of 1.6817 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5-{[(tert-butylamino)carbothioyl]amino}-1-methyl-1H-pyrazole-4-carboxylate. The TPSA of 68.18 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-{[(tert-butylamino)carbothioyl]amino}-1-methyl-1H-pyrazole-4-carboxylate. Following Lipinski's Rule of Five, ethyl 5-{[(tert-butylamino)carbothioyl]amino}-1-methyl-1H-pyrazole-4-carboxylate 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 5-{[(tert-butylamino)carbothioyl]amino}-1-methyl-1H-pyrazole-4-carboxylate?
The CAS number of ethyl 5-{[(tert-butylamino)carbothioyl]amino}-1-methyl-1H-pyrazole-4-carboxylate is 956441-35-3.
What is the molecular formula of ethyl 5-{[(tert-butylamino)carbothioyl]amino}-1-methyl-1H-pyrazole-4-carboxylate?
The molecular formula of ethyl 5-{[(tert-butylamino)carbothioyl]amino}-1-methyl-1H-pyrazole-4-carboxylate is C12H20N4O2S.
What is the molecular weight of ethyl 5-{[(tert-butylamino)carbothioyl]amino}-1-methyl-1H-pyrazole-4-carboxylate?
The molecular weight of ethyl 5-{[(tert-butylamino)carbothioyl]amino}-1-methyl-1H-pyrazole-4-carboxylate is 284.13 g/mol.
Where can I buy ethyl 5-{[(tert-butylamino)carbothioyl]amino}-1-methyl-1H-pyrazole-4-carboxylate?
You can request a quote for ethyl 5-{[(tert-butylamino)carbothioyl]amino}-1-methyl-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-{[(tert-butylamino)carbothioyl]amino}-1-methyl-1H-pyrazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-{[(tert-butylamino)carbothioyl]amino}-1-methyl-1H-pyrazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.