ethyl N-(1-phenylethylcarbamothioyl)carbamate
TL;DR: ethyl N-(1-phenylethylcarbamothioyl)carbamate (CAS 909075-77-0) is a chemical compound with molecular formula C12H16N2O2S and molecular weight 252.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(1-phenylethylcarbamothioyl)carbamate
Also Known As: ethyl N-(1-phenylethylcarbamothioyl)carbamate, NCI60_030142, Ethyl ((1-phenylethyl)amino)carbothioylcarbamate, ethyl N-[(1-phenylethyl)carbamothioyl]carbamate
| Molecular Formula | C12H16N2O2S |
|---|---|
| Molecular Weight | 252.09 g/mol |
| LogP | 2.3682 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.09325 |
| Heavy Atoms | 17 |
| Complexity | 381.35184 |
Chemical Identifiers
| CAS Number | 909075-77-0 |
|---|---|
| SMILES | CCOC(=O)NC(=S)NC(C)C1=CC=CC=C1 |
Product Overview
ethyl N-(1-phenylethylcarbamothioyl)carbamate (CAS 909075-77-0), with molecular formula C12H16N2O2S and molecular weight 252.09 g/mol. IUPAC: ethyl N-(1-phenylethylcarbamothioyl)carbamate.
Chemical Property Profile of ethyl N-(1-phenylethylcarbamothioyl)carbamate
Property Insights of ethyl N-(1-phenylethylcarbamothioyl)carbamate
The XLogP value of 2.3682 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-(1-phenylethylcarbamothioyl)carbamate. With a topological polar surface area (TPSA) of 50.36 Ų, ethyl N-(1-phenylethylcarbamothioyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl N-(1-phenylethylcarbamothioyl)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-(1-phenylethylcarbamothioyl)carbamate?
The CAS number of ethyl N-(1-phenylethylcarbamothioyl)carbamate is 909075-77-0.
What is the molecular formula of ethyl N-(1-phenylethylcarbamothioyl)carbamate?
The molecular formula of ethyl N-(1-phenylethylcarbamothioyl)carbamate is C12H16N2O2S.
What is the molecular weight of ethyl N-(1-phenylethylcarbamothioyl)carbamate?
The molecular weight of ethyl N-(1-phenylethylcarbamothioyl)carbamate is 252.09 g/mol.
Where can I buy ethyl N-(1-phenylethylcarbamothioyl)carbamate?
You can request a quote for ethyl N-(1-phenylethylcarbamothioyl)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-phenylethylcarbamothioyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-(1-phenylethylcarbamothioyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.