![1-(4-Acetylphenyl)-3-[(2-cyanoacetyl)amino]thiourea structure](/static/products/4743/474306-80-4.webp)
1-(4-Acetylphenyl)-3-[(2-cyanoacetyl)amino]thiourea
TL;DR: 1-(4-Acetylphenyl)-3-[(2-cyanoacetyl)amino]thiourea (CAS 474306-80-4) is a chemical compound with molecular formula C12H12N4O2S and molecular weight 276.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-acetylphenyl)-3-[(2-cyanoacetyl)amino]thiourea
Also Known As: 1-(4-acetylphenyl)-3-[(2-cyanoacetyl)amino]thiourea, N-(4-acetylphenyl)-2-(cyanoacetyl)hydrazinecarbothioamide, N-({[(4-acetylphenyl)amino]thioxomethyl}amino)-2-cyanoacetamide
| Molecular Formula | C12H12N4O2S |
|---|---|
| Molecular Weight | 276.07 g/mol |
| LogP | 1.12048 |
| Topological Polar Surface Area | 94.02 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.06808 |
| Heavy Atoms | 19 |
| Complexity | 533.6555 |
Chemical Identifiers
| CAS Number | 474306-80-4 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)CC#N |
Product Overview
1-(4-Acetylphenyl)-3-[(2-cyanoacetyl)amino]thiourea (CAS 474306-80-4), with molecular formula C12H12N4O2S and molecular weight 276.07 g/mol. IUPAC: 1-(4-acetylphenyl)-3-[(2-cyanoacetyl)amino]thiourea.
Chemical Property Profile of 1-(4-Acetylphenyl)-3-[(2-cyanoacetyl)amino]thiourea
Property Insights of 1-(4-Acetylphenyl)-3-[(2-cyanoacetyl)amino]thiourea
The XLogP value of 1.12048 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Acetylphenyl)-3-[(2-cyanoacetyl)amino]thiourea. The TPSA of 94.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Acetylphenyl)-3-[(2-cyanoacetyl)amino]thiourea. Following Lipinski's Rule of Five, 1-(4-Acetylphenyl)-3-[(2-cyanoacetyl)amino]thiourea has 3 hydrogen bond donor(s) and 4 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 1-(4-Acetylphenyl)-3-[(2-cyanoacetyl)amino]thiourea?
The CAS number of 1-(4-Acetylphenyl)-3-[(2-cyanoacetyl)amino]thiourea is 474306-80-4.
What is the molecular formula of 1-(4-Acetylphenyl)-3-[(2-cyanoacetyl)amino]thiourea?
The molecular formula of 1-(4-Acetylphenyl)-3-[(2-cyanoacetyl)amino]thiourea is C12H12N4O2S.
What is the molecular weight of 1-(4-Acetylphenyl)-3-[(2-cyanoacetyl)amino]thiourea?
The molecular weight of 1-(4-Acetylphenyl)-3-[(2-cyanoacetyl)amino]thiourea is 276.07 g/mol.
Where can I buy 1-(4-Acetylphenyl)-3-[(2-cyanoacetyl)amino]thiourea?
You can request a quote for 1-(4-Acetylphenyl)-3-[(2-cyanoacetyl)amino]thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Acetylphenyl)-3-[(2-cyanoacetyl)amino]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Acetylphenyl)-3-[(2-cyanoacetyl)amino]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.