![ethyl N-[(4-chlorophenyl)carbamothioyl]-N'-ethylcarbamimidothioate structure](/static/products/894/89477-60-1.png)
ethyl N-[(4-chlorophenyl)carbamothioyl]-N'-ethylcarbamimidothioate
TL;DR: ethyl N-[(4-chlorophenyl)carbamothioyl]-N'-ethylcarbamimidothioate (CAS 89477-60-1) is a chemical compound with molecular formula C12H16ClN3S2 and molecular weight 301.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[(4-chlorophenyl)carbamothioyl]-N'-ethylcarbamimidothioate
Also Known As: ethyl N-[(4-chlorophenyl)carbamothioyl]-N'-ethylcarbamimidothioate
| Molecular Formula | C12H16ClN3S2 |
|---|---|
| Molecular Weight | 301.05 g/mol |
| LogP | 3.7554 |
| Topological Polar Surface Area | 36.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.04742 |
| Heavy Atoms | 18 |
| Complexity | 417.83563 |
Chemical Identifiers
| CAS Number | 89477-60-1 |
|---|---|
| SMILES | CCN=C(NC(=S)NC1=CC=C(C=C1)Cl)SCC |
Product Overview
ethyl N-[(4-chlorophenyl)carbamothioyl]-N'-ethylcarbamimidothioate (CAS 89477-60-1), with molecular formula C12H16ClN3S2 and molecular weight 301.05 g/mol. IUPAC: ethyl N-[(4-chlorophenyl)carbamothioyl]-N'-ethylcarbamimidothioate.
Chemical Property Profile of ethyl N-[(4-chlorophenyl)carbamothioyl]-N'-ethylcarbamimidothioate
Property Insights of ethyl N-[(4-chlorophenyl)carbamothioyl]-N'-ethylcarbamimidothioate
The XLogP value of 3.7554 indicates that ethyl N-[(4-chlorophenyl)carbamothioyl]-N'-ethylcarbamimidothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.42 Ų, ethyl N-[(4-chlorophenyl)carbamothioyl]-N'-ethylcarbamimidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl N-[(4-chlorophenyl)carbamothioyl]-N'-ethylcarbamimidothioate 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-[(4-chlorophenyl)carbamothioyl]-N'-ethylcarbamimidothioate?
The CAS number of ethyl N-[(4-chlorophenyl)carbamothioyl]-N'-ethylcarbamimidothioate is 89477-60-1.
What is the molecular formula of ethyl N-[(4-chlorophenyl)carbamothioyl]-N'-ethylcarbamimidothioate?
The molecular formula of ethyl N-[(4-chlorophenyl)carbamothioyl]-N'-ethylcarbamimidothioate is C12H16ClN3S2.
What is the molecular weight of ethyl N-[(4-chlorophenyl)carbamothioyl]-N'-ethylcarbamimidothioate?
The molecular weight of ethyl N-[(4-chlorophenyl)carbamothioyl]-N'-ethylcarbamimidothioate is 301.05 g/mol.
Where can I buy ethyl N-[(4-chlorophenyl)carbamothioyl]-N'-ethylcarbamimidothioate?
You can request a quote for ethyl N-[(4-chlorophenyl)carbamothioyl]-N'-ethylcarbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N-[(4-chlorophenyl)carbamothioyl]-N'-ethylcarbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-[(4-chlorophenyl)carbamothioyl]-N'-ethylcarbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.