ethyl N-(1-methylpyrrole-2-carbothioyl)carbamate
TL;DR: ethyl N-(1-methylpyrrole-2-carbothioyl)carbamate (CAS 72082-30-5) is a chemical compound with molecular formula C9H12N2O2S and molecular weight 212.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(1-methylpyrrole-2-carbothioyl)carbamate
Also Known As: Maybridge4_002679, ethyl N-(1-methylpyrrole-2-carbothioyl)carbamate, IDI1_032557, Ethyl (1-methyl-1H-pyrrole-2-carbothioyl)carbamate, ethyl N-(1-methyl-1H-pyrrole-2-carbothioyl)carbamate
| Molecular Formula | C9H12N2O2S |
|---|---|
| Molecular Weight | 212.06 g/mol |
| LogP | 1.4467 |
| Topological Polar Surface Area | 43.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.06195 |
| Heavy Atoms | 14 |
| Complexity | 346.3361 |
Chemical Identifiers
| CAS Number | 72082-30-5 |
|---|---|
| SMILES | CCOC(=O)NC(=S)C1=CC=CN1C |
Product Overview
ethyl N-(1-methylpyrrole-2-carbothioyl)carbamate (CAS 72082-30-5), with molecular formula C9H12N2O2S and molecular weight 212.06 g/mol. IUPAC: ethyl N-(1-methylpyrrole-2-carbothioyl)carbamate.
Chemical Property Profile of ethyl N-(1-methylpyrrole-2-carbothioyl)carbamate
Property Insights of ethyl N-(1-methylpyrrole-2-carbothioyl)carbamate
The XLogP value of 1.4467 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-(1-methylpyrrole-2-carbothioyl)carbamate. With a topological polar surface area (TPSA) of 43.26 Ų, ethyl N-(1-methylpyrrole-2-carbothioyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl N-(1-methylpyrrole-2-carbothioyl)carbamate 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 N-(1-methylpyrrole-2-carbothioyl)carbamate?
The CAS number of ethyl N-(1-methylpyrrole-2-carbothioyl)carbamate is 72082-30-5.
What is the molecular formula of ethyl N-(1-methylpyrrole-2-carbothioyl)carbamate?
The molecular formula of ethyl N-(1-methylpyrrole-2-carbothioyl)carbamate is C9H12N2O2S.
What is the molecular weight of ethyl N-(1-methylpyrrole-2-carbothioyl)carbamate?
The molecular weight of ethyl N-(1-methylpyrrole-2-carbothioyl)carbamate is 212.06 g/mol.
Where can I buy ethyl N-(1-methylpyrrole-2-carbothioyl)carbamate?
You can request a quote for ethyl N-(1-methylpyrrole-2-carbothioyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N-(1-methylpyrrole-2-carbothioyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-(1-methylpyrrole-2-carbothioyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.