1-(4-Cyanophenyl)-3-(4-methylbenzoyl)thiourea
TL;DR: 1-(4-Cyanophenyl)-3-(4-methylbenzoyl)thiourea (CAS 642946-02-9) is a chemical compound with molecular formula C16H13N3OS and molecular weight 295.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-cyanophenyl)carbamothioyl]-4-methylbenzamide
Also Known As: 1-(4-cyanophenyl)-3-(4-methylbenzoyl)thiourea, 1-(4-nitrilophenyl)-3-(4-methylbenzoyl)thiourea, N-[(4-cyanophenyl)carbamothioyl]-4-methylbenzamide, N-((4-Cyanophenyl)carbamothioyl)-4-methylbenzamide, N-[(4-cyanophenyl)carbamothioyl]-4-methyl-benzamide
| Molecular Formula | C16H13N3OS |
|---|---|
| Molecular Weight | 295.08 g/mol |
| LogP | 2.9935 |
| Topological Polar Surface Area | 64.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 295.07794 |
| Heavy Atoms | 21 |
| Complexity | 699.7971 |
Chemical Identifiers
| CAS Number | 642946-02-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C#N |
Product Overview
1-(4-Cyanophenyl)-3-(4-methylbenzoyl)thiourea (CAS 642946-02-9), with molecular formula C16H13N3OS and molecular weight 295.08 g/mol. IUPAC: N-[(4-cyanophenyl)carbamothioyl]-4-methylbenzamide.
Chemical Property Profile of 1-(4-Cyanophenyl)-3-(4-methylbenzoyl)thiourea
Property Insights of 1-(4-Cyanophenyl)-3-(4-methylbenzoyl)thiourea
The XLogP value of 2.9935 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Cyanophenyl)-3-(4-methylbenzoyl)thiourea. The TPSA of 64.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Cyanophenyl)-3-(4-methylbenzoyl)thiourea. Following Lipinski's Rule of Five, 1-(4-Cyanophenyl)-3-(4-methylbenzoyl)thiourea 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 1-(4-Cyanophenyl)-3-(4-methylbenzoyl)thiourea?
The CAS number of 1-(4-Cyanophenyl)-3-(4-methylbenzoyl)thiourea is 642946-02-9.
What is the molecular formula of 1-(4-Cyanophenyl)-3-(4-methylbenzoyl)thiourea?
The molecular formula of 1-(4-Cyanophenyl)-3-(4-methylbenzoyl)thiourea is C16H13N3OS.
What is the molecular weight of 1-(4-Cyanophenyl)-3-(4-methylbenzoyl)thiourea?
The molecular weight of 1-(4-Cyanophenyl)-3-(4-methylbenzoyl)thiourea is 295.08 g/mol.
Where can I buy 1-(4-Cyanophenyl)-3-(4-methylbenzoyl)thiourea?
You can request a quote for 1-(4-Cyanophenyl)-3-(4-methylbenzoyl)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-Cyanophenyl)-3-(4-methylbenzoyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Cyanophenyl)-3-(4-methylbenzoyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.