Ethyl (pyrrolidin-1-ylcarbonothioyl)carbamate
TL;DR: Ethyl (pyrrolidin-1-ylcarbonothioyl)carbamate (CAS 40398-26-3) is a chemical compound with molecular formula C8H14N2O2S and molecular weight 202.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(pyrrolidine-1-carbothioyl)carbamate
Also Known As: ethyl (pyrrolidin-1-ylcarbonothioyl)carbamate, Maybridge4_002636, ethyl N-(pyrrolidine-1-carbothioyl)carbamate, Ethyl pyrrolidine-1-carbonothioylcarbamate, Ethylpyrrolidine-1-carbonothioylcarbamate
| Molecular Formula | C8H14N2O2S |
|---|---|
| Molecular Weight | 202.08 g/mol |
| LogP | 1.1132 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 202.0776 |
| Heavy Atoms | 13 |
| Complexity | 202.32071 |
Chemical Identifiers
| CAS Number | 40398-26-3 |
|---|---|
| SMILES | CCOC(=O)NC(=S)N1CCCC1 |
Product Overview
Ethyl (pyrrolidin-1-ylcarbonothioyl)carbamate (CAS 40398-26-3), with molecular formula C8H14N2O2S and molecular weight 202.08 g/mol. IUPAC: ethyl N-(pyrrolidine-1-carbothioyl)carbamate.
Chemical Property Profile of Ethyl (pyrrolidin-1-ylcarbonothioyl)carbamate
Property Insights of Ethyl (pyrrolidin-1-ylcarbonothioyl)carbamate
The XLogP value of 1.1132 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (pyrrolidin-1-ylcarbonothioyl)carbamate. With a topological polar surface area (TPSA) of 41.57 Ų, Ethyl (pyrrolidin-1-ylcarbonothioyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (pyrrolidin-1-ylcarbonothioyl)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 (pyrrolidin-1-ylcarbonothioyl)carbamate?
The CAS number of Ethyl (pyrrolidin-1-ylcarbonothioyl)carbamate is 40398-26-3.
What is the molecular formula of Ethyl (pyrrolidin-1-ylcarbonothioyl)carbamate?
The molecular formula of Ethyl (pyrrolidin-1-ylcarbonothioyl)carbamate is C8H14N2O2S.
What is the molecular weight of Ethyl (pyrrolidin-1-ylcarbonothioyl)carbamate?
The molecular weight of Ethyl (pyrrolidin-1-ylcarbonothioyl)carbamate is 202.08 g/mol.
Where can I buy Ethyl (pyrrolidin-1-ylcarbonothioyl)carbamate?
You can request a quote for Ethyl (pyrrolidin-1-ylcarbonothioyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (pyrrolidin-1-ylcarbonothioyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (pyrrolidin-1-ylcarbonothioyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.