ethyl 2-(aminothioxomethyl)-1H-pyrrole-1-carboxylate
TL;DR: ethyl 2-(aminothioxomethyl)-1H-pyrrole-1-carboxylate (CAS 71486-54-9) is a chemical compound with molecular formula C8H10N2O2S and molecular weight 198.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-carbamothioylpyrrole-1-carboxylate
Also Known As: EINECS 275-527-4, Ethyl 2-(aminothioxomethyl)-1H-pyrrole-1-carboxylate, ethyl2- -1H-pyrrole-1-carboxylate, ethyl 2-carbamothioylpyrrole-1-carboxylate, Ethyl 2-carbamothioyl-1H-pyrrole-1-carboxylate
| Molecular Formula | C8H10N2O2S |
|---|---|
| Molecular Weight | 198.05 g/mol |
| LogP | 1.1269 |
| Topological Polar Surface Area | 57.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.0463 |
| Heavy Atoms | 13 |
| Complexity | 332.63995 |
Chemical Identifiers
| CAS Number | 71486-54-9 |
|---|---|
| SMILES | CCOC(=O)N1C=CC=C1C(=S)N |
Product Overview
ethyl 2-(aminothioxomethyl)-1H-pyrrole-1-carboxylate (CAS 71486-54-9), with molecular formula C8H10N2O2S and molecular weight 198.05 g/mol. IUPAC: ethyl 2-carbamothioylpyrrole-1-carboxylate.
Chemical Property Profile of ethyl 2-(aminothioxomethyl)-1H-pyrrole-1-carboxylate
Property Insights of ethyl 2-(aminothioxomethyl)-1H-pyrrole-1-carboxylate
The XLogP value of 1.1269 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-(aminothioxomethyl)-1H-pyrrole-1-carboxylate. With a topological polar surface area (TPSA) of 57.25 Ų, ethyl 2-(aminothioxomethyl)-1H-pyrrole-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-(aminothioxomethyl)-1H-pyrrole-1-carboxylate has 1 hydrogen bond donor(s) and 3 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 2-(aminothioxomethyl)-1H-pyrrole-1-carboxylate?
The CAS number of ethyl 2-(aminothioxomethyl)-1H-pyrrole-1-carboxylate is 71486-54-9.
What is the molecular formula of ethyl 2-(aminothioxomethyl)-1H-pyrrole-1-carboxylate?
The molecular formula of ethyl 2-(aminothioxomethyl)-1H-pyrrole-1-carboxylate is C8H10N2O2S.
What is the molecular weight of ethyl 2-(aminothioxomethyl)-1H-pyrrole-1-carboxylate?
The molecular weight of ethyl 2-(aminothioxomethyl)-1H-pyrrole-1-carboxylate is 198.05 g/mol.
Where can I buy ethyl 2-(aminothioxomethyl)-1H-pyrrole-1-carboxylate?
You can request a quote for ethyl 2-(aminothioxomethyl)-1H-pyrrole-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(aminothioxomethyl)-1H-pyrrole-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(aminothioxomethyl)-1H-pyrrole-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.