3-amino-N-(4-ethylphenyl)-3-thioxopropanamide
TL;DR: 3-amino-N-(4-ethylphenyl)-3-thioxopropanamide (CAS 744227-10-9) is a chemical compound with molecular formula C11H14N2OS and molecular weight 222.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-N-(4-ethylphenyl)-3-sulfanylidenepropanamide
Also Known As: 2-carbamothioyl-N-(4-ethylphenyl)acetamide, 3-amino-N-(4-ethylphenyl)-3-thioxopropanamide, 3-amino-N-(4-ethylphenyl)-3-sulfanylidenepropanamide, Propanamide, 3-amino-N-(4-ethylphenyl)-3-thioxo- (9CI), PROPANAMIDE, 3-AMINO-N-(4-ETHYLPHENYL)-3-THIOXO-
| Molecular Formula | C11H14N2OS |
|---|---|
| Molecular Weight | 222.08 g/mol |
| LogP | 1.8637 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.08269 |
| Heavy Atoms | 15 |
| Complexity | 359.3556 |
Chemical Identifiers
| CAS Number | 744227-10-9 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)NC(=O)CC(=S)N |
Product Overview
3-amino-N-(4-ethylphenyl)-3-thioxopropanamide (CAS 744227-10-9), with molecular formula C11H14N2OS and molecular weight 222.08 g/mol. IUPAC: 3-amino-N-(4-ethylphenyl)-3-sulfanylidenepropanamide.
Chemical Property Profile of 3-amino-N-(4-ethylphenyl)-3-thioxopropanamide
Property Insights of 3-amino-N-(4-ethylphenyl)-3-thioxopropanamide
The XLogP value of 1.8637 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-amino-N-(4-ethylphenyl)-3-thioxopropanamide. With a topological polar surface area (TPSA) of 55.12 Ų, 3-amino-N-(4-ethylphenyl)-3-thioxopropanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-amino-N-(4-ethylphenyl)-3-thioxopropanamide has 2 hydrogen bond donor(s) and 2 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 3-amino-N-(4-ethylphenyl)-3-thioxopropanamide?
The CAS number of 3-amino-N-(4-ethylphenyl)-3-thioxopropanamide is 744227-10-9.
What is the molecular formula of 3-amino-N-(4-ethylphenyl)-3-thioxopropanamide?
The molecular formula of 3-amino-N-(4-ethylphenyl)-3-thioxopropanamide is C11H14N2OS.
What is the molecular weight of 3-amino-N-(4-ethylphenyl)-3-thioxopropanamide?
The molecular weight of 3-amino-N-(4-ethylphenyl)-3-thioxopropanamide is 222.08 g/mol.
Where can I buy 3-amino-N-(4-ethylphenyl)-3-thioxopropanamide?
You can request a quote for 3-amino-N-(4-ethylphenyl)-3-thioxopropanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-amino-N-(4-ethylphenyl)-3-thioxopropanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-amino-N-(4-ethylphenyl)-3-thioxopropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.