1-(2-Cyanophenyl)-3-(4-fluorophenyl)thiourea
TL;DR: 1-(2-Cyanophenyl)-3-(4-fluorophenyl)thiourea (CAS 314766-50-2) is a chemical compound with molecular formula C14H10FN3S and molecular weight 271.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-cyanophenyl)-3-(4-fluorophenyl)thiourea
Also Known As: 1-(2-cyanophenyl)-3-(4-fluorophenyl)thiourea, BAS 01175936, N-(2-cyanophenyl)-N'-(4-fluorophenyl)thiourea, AN-329/40396853, 1-(2-Cyano-phenyl)-3-(4-fluoro-phenyl)-thiourea
| Molecular Formula | C14H10FN3S |
|---|---|
| Molecular Weight | 271.06 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 79.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.05795 |
| Heavy Atoms | 19 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 314766-50-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C#N)NC(=S)NC2=CC=C(C=C2)F |
| InChIKey | AAJINUUEBDIAGI-UHFFFAOYSA-N |
Product Overview
1-(2-Cyanophenyl)-3-(4-fluorophenyl)thiourea (CAS 314766-50-2), with molecular formula C14H10FN3S and molecular weight 271.06 g/mol. IUPAC: 1-(2-cyanophenyl)-3-(4-fluorophenyl)thiourea.
Chemical Property Profile of 1-(2-Cyanophenyl)-3-(4-fluorophenyl)thiourea
Property Insights of 1-(2-Cyanophenyl)-3-(4-fluorophenyl)thiourea
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Cyanophenyl)-3-(4-fluorophenyl)thiourea. The TPSA of 79.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Cyanophenyl)-3-(4-fluorophenyl)thiourea. Following Lipinski's Rule of Five, 1-(2-Cyanophenyl)-3-(4-fluorophenyl)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-(2-Cyanophenyl)-3-(4-fluorophenyl)thiourea?
The CAS number of 1-(2-Cyanophenyl)-3-(4-fluorophenyl)thiourea is 314766-50-2.
What is the molecular formula of 1-(2-Cyanophenyl)-3-(4-fluorophenyl)thiourea?
The molecular formula of 1-(2-Cyanophenyl)-3-(4-fluorophenyl)thiourea is C14H10FN3S.
What is the molecular weight of 1-(2-Cyanophenyl)-3-(4-fluorophenyl)thiourea?
The molecular weight of 1-(2-Cyanophenyl)-3-(4-fluorophenyl)thiourea is 271.06 g/mol.
Where can I buy 1-(2-Cyanophenyl)-3-(4-fluorophenyl)thiourea?
You can request a quote for 1-(2-Cyanophenyl)-3-(4-fluorophenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Cyanophenyl)-3-(4-fluorophenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Cyanophenyl)-3-(4-fluorophenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.