Ethyl N-propanethioylcarbamate
TL;DR: Ethyl N-propanethioylcarbamate (CAS 59812-12-3) is a chemical compound with molecular formula C6H11NO2S and molecular weight 161.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-propanethioylcarbamate
Also Known As: Ethyl N-propanethioylcarbamate, N-(Ethoxycarbonyl)thiopropionamide, ethyl propanethioylcarbamate, thiopropionyl-carbamic acid ethyl ester, (1-Thioxopropyl)carbamic Acid Ethyl Ester
| Molecular Formula | C6H11NO2S |
|---|---|
| Molecular Weight | 161.05 g/mol |
| LogP | 1.4699 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 161.05106 |
| Heavy Atoms | 10 |
| Complexity | 135.7095 |
Chemical Identifiers
| CAS Number | 59812-12-3 |
|---|---|
| SMILES | CCC(=S)NC(=O)OCC |
Product Overview
Ethyl N-propanethioylcarbamate (CAS 59812-12-3), with molecular formula C6H11NO2S and molecular weight 161.05 g/mol. IUPAC: ethyl N-propanethioylcarbamate.
Chemical Property Profile of Ethyl N-propanethioylcarbamate
Property Insights of Ethyl N-propanethioylcarbamate
The XLogP value of 1.4699 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl N-propanethioylcarbamate. With a topological polar surface area (TPSA) of 38.33 Ų, Ethyl N-propanethioylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl N-propanethioylcarbamate 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-propanethioylcarbamate?
The CAS number of Ethyl N-propanethioylcarbamate is 59812-12-3.
What is the molecular formula of Ethyl N-propanethioylcarbamate?
The molecular formula of Ethyl N-propanethioylcarbamate is C6H11NO2S.
What is the molecular weight of Ethyl N-propanethioylcarbamate?
The molecular weight of Ethyl N-propanethioylcarbamate is 161.05 g/mol.
Where can I buy Ethyl N-propanethioylcarbamate?
You can request a quote for Ethyl N-propanethioylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl N-propanethioylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl N-propanethioylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.