N-(4-fluorobenzyl)thiourea
TL;DR: N-(4-fluorobenzyl)thiourea (CAS 405-74-3) is a chemical compound with molecular formula C8H9FN2S and molecular weight 184.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-fluorophenyl)methylthiourea
Also Known As: N-(4-fluorobenzyl)thiourea, (4-fluorophenyl)methylthiourea, 1-(4-Fluorobenzyl)thiourea, [(4-fluorophenyl)methyl]thiourea, N- THIOUREA
| Molecular Formula | C8H9FN2S |
|---|---|
| Molecular Weight | 184.05 g/mol |
| LogP | 1.1589 |
| Topological Polar Surface Area | 38.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.04704 |
| Heavy Atoms | 12 |
| Complexity | 270.89127 |
Chemical Identifiers
| CAS Number | 405-74-3 |
|---|---|
| SMILES | C1=CC(=CC=C1CNC(=S)N)F |
Product Overview
N-(4-fluorobenzyl)thiourea (CAS 405-74-3), with molecular formula C8H9FN2S and molecular weight 184.05 g/mol. IUPAC: (4-fluorophenyl)methylthiourea.
Chemical Property Profile of N-(4-fluorobenzyl)thiourea
Property Insights of N-(4-fluorobenzyl)thiourea
The XLogP value of 1.1589 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-fluorobenzyl)thiourea. With a topological polar surface area (TPSA) of 38.05 Ų, N-(4-fluorobenzyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-fluorobenzyl)thiourea has 2 hydrogen bond donor(s) and 1 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-(4-fluorobenzyl)thiourea?
The CAS number of N-(4-fluorobenzyl)thiourea is 405-74-3.
What is the molecular formula of N-(4-fluorobenzyl)thiourea?
The molecular formula of N-(4-fluorobenzyl)thiourea is C8H9FN2S.
What is the molecular weight of N-(4-fluorobenzyl)thiourea?
The molecular weight of N-(4-fluorobenzyl)thiourea is 184.05 g/mol.
Where can I buy N-(4-fluorobenzyl)thiourea?
You can request a quote for N-(4-fluorobenzyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-fluorobenzyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-(4-fluorobenzyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.