1-Benzyl-3-(4-fluorophenyl)thiourea
TL;DR: 1-Benzyl-3-(4-fluorophenyl)thiourea (CAS 65550-95-0) is a chemical compound with molecular formula C14H13FN2S and molecular weight 260.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-(4-fluorophenyl)thiourea
Also Known As: 1-benzyl-3-(4-fluorophenyl)thiourea, 1-Benzyl-3-(4-fluoro-phenyl)-thiourea, N-benzyl-N'-(4-fluorophenyl)thiourea, BAS 01175966, 1-(4-fluorophenyl)-3-(phenylmethyl)thiourea
| Molecular Formula | C14H13FN2S |
|---|---|
| Molecular Weight | 260.08 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 56.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.07834 |
| Heavy Atoms | 18 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 65550-95-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=S)NC2=CC=C(C=C2)F |
| InChIKey | USDRRALDGLJWSM-UHFFFAOYSA-N |
Product Overview
1-Benzyl-3-(4-fluorophenyl)thiourea (CAS 65550-95-0), with molecular formula C14H13FN2S and molecular weight 260.08 g/mol. IUPAC: 1-benzyl-3-(4-fluorophenyl)thiourea.
Chemical Property Profile of 1-Benzyl-3-(4-fluorophenyl)thiourea
Property Insights of 1-Benzyl-3-(4-fluorophenyl)thiourea
The XLogP value of 3.1 indicates that 1-Benzyl-3-(4-fluorophenyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.2 Ų, 1-Benzyl-3-(4-fluorophenyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-3-(4-fluorophenyl)thiourea 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 1-Benzyl-3-(4-fluorophenyl)thiourea?
The CAS number of 1-Benzyl-3-(4-fluorophenyl)thiourea is 65550-95-0.
What is the molecular formula of 1-Benzyl-3-(4-fluorophenyl)thiourea?
The molecular formula of 1-Benzyl-3-(4-fluorophenyl)thiourea is C14H13FN2S.
What is the molecular weight of 1-Benzyl-3-(4-fluorophenyl)thiourea?
The molecular weight of 1-Benzyl-3-(4-fluorophenyl)thiourea is 260.08 g/mol.
Where can I buy 1-Benzyl-3-(4-fluorophenyl)thiourea?
You can request a quote for 1-Benzyl-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-Benzyl-3-(4-fluorophenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-3-(4-fluorophenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.