ethyl N-(1H-pyrrole-2-carbothioyl)carbamate
TL;DR: ethyl N-(1H-pyrrole-2-carbothioyl)carbamate (CAS 37741-52-9) 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 N-(1H-pyrrole-2-carbothioyl)carbamate
Also Known As: Maybridge4_002728, ethyl N-(1H-pyrrole-2-carbothioyl)carbamate, N-carboethoxy-2-pyrrolethioamide, ethyl 1H-pyrrol-2-ylcarbothioylcarbamate, Ethyl 1H-pyrrole-2-carbonothioylcarbamate
| Molecular Formula | C8H10N2O2S |
|---|---|
| Molecular Weight | 198.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 86.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.0463 |
| Heavy Atoms | 13 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 37741-52-9 |
|---|---|
| SMILES | CCOC(=O)NC(=S)C1=CC=CN1 |
| InChIKey | YBGZZCBTDSZIHP-UHFFFAOYSA-N |
Product Overview
ethyl N-(1H-pyrrole-2-carbothioyl)carbamate (CAS 37741-52-9), with molecular formula C8H10N2O2S and molecular weight 198.05 g/mol. IUPAC: ethyl N-(1H-pyrrole-2-carbothioyl)carbamate.
Chemical Property Profile of ethyl N-(1H-pyrrole-2-carbothioyl)carbamate
Property Insights of ethyl N-(1H-pyrrole-2-carbothioyl)carbamate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-(1H-pyrrole-2-carbothioyl)carbamate. The TPSA of 86.2 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-(1H-pyrrole-2-carbothioyl)carbamate. Following Lipinski's Rule of Five, ethyl N-(1H-pyrrole-2-carbothioyl)carbamate has 2 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-(1H-pyrrole-2-carbothioyl)carbamate?
The CAS number of ethyl N-(1H-pyrrole-2-carbothioyl)carbamate is 37741-52-9.
What is the molecular formula of ethyl N-(1H-pyrrole-2-carbothioyl)carbamate?
The molecular formula of ethyl N-(1H-pyrrole-2-carbothioyl)carbamate is C8H10N2O2S.
What is the molecular weight of ethyl N-(1H-pyrrole-2-carbothioyl)carbamate?
The molecular weight of ethyl N-(1H-pyrrole-2-carbothioyl)carbamate is 198.05 g/mol.
Where can I buy ethyl N-(1H-pyrrole-2-carbothioyl)carbamate?
You can request a quote for ethyl N-(1H-pyrrole-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-(1H-pyrrole-2-carbothioyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-(1H-pyrrole-2-carbothioyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.