N-benzoyl-N'-(2-cyanophenyl)thiourea
TL;DR: N-benzoyl-N'-(2-cyanophenyl)thiourea (CAS 119118-95-5) is a chemical compound with molecular formula C15H11N3OS and molecular weight 281.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-cyanophenyl)carbamothioyl]benzamide
Also Known As: N-benzoyl-N'-(2-cyanophenyl)thiourea, 1-benzoyl-3-(2-cyanophenyl)thiourea, N-[(2-cyanophenyl)carbamothioyl]benzamide, N-(2-Cyanophenylcarbamothioyl)benzamide
| Molecular Formula | C15H11N3OS |
|---|---|
| Molecular Weight | 281.06 g/mol |
| LogP | 2.68508 |
| Topological Polar Surface Area | 64.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.0623 |
| Heavy Atoms | 20 |
| Complexity | 677.018 |
Chemical Identifiers
| CAS Number | 119118-95-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C#N |
Product Overview
N-benzoyl-N'-(2-cyanophenyl)thiourea (CAS 119118-95-5), with molecular formula C15H11N3OS and molecular weight 281.06 g/mol. IUPAC: N-[(2-cyanophenyl)carbamothioyl]benzamide.
Chemical Property Profile of N-benzoyl-N'-(2-cyanophenyl)thiourea
Property Insights of N-benzoyl-N'-(2-cyanophenyl)thiourea
The XLogP value of 2.68508 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzoyl-N'-(2-cyanophenyl)thiourea. The TPSA of 64.92 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzoyl-N'-(2-cyanophenyl)thiourea. Following Lipinski's Rule of Five, N-benzoyl-N'-(2-cyanophenyl)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 N-benzoyl-N'-(2-cyanophenyl)thiourea?
The CAS number of N-benzoyl-N'-(2-cyanophenyl)thiourea is 119118-95-5.
What is the molecular formula of N-benzoyl-N'-(2-cyanophenyl)thiourea?
The molecular formula of N-benzoyl-N'-(2-cyanophenyl)thiourea is C15H11N3OS.
What is the molecular weight of N-benzoyl-N'-(2-cyanophenyl)thiourea?
The molecular weight of N-benzoyl-N'-(2-cyanophenyl)thiourea is 281.06 g/mol.
Where can I buy N-benzoyl-N'-(2-cyanophenyl)thiourea?
You can request a quote for N-benzoyl-N'-(2-cyanophenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzoyl-N'-(2-cyanophenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-benzoyl-N'-(2-cyanophenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.