N-(3,5-dimethylphenyl)-N'-(4-fluorobenzyl)thiourea
TL;DR: N-(3,5-dimethylphenyl)-N'-(4-fluorobenzyl)thiourea (CAS 433258-30-1) is a chemical compound with molecular formula C16H17FN2S and molecular weight 288.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,5-dimethylphenyl)-3-[(4-fluorophenyl)methyl]thiourea
Also Known As: 1-(3,5-dimethylphenyl)-3-(4-fluorobenzyl)thiourea, N-(3,5-dimethylphenyl)-N'-(4-fluorobenzyl)thiourea, 1-(3,5-dimethylphenyl)-3-[(4-fluorophenyl)methyl]thiourea, [(3,5-dimethylphenyl)amino]{[(4-fluorophenyl)methyl]amino}methane-1-thione
| Molecular Formula | C16H17FN2S |
|---|---|
| Molecular Weight | 288.11 g/mol |
| LogP | 3.92914 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.10965 |
| Heavy Atoms | 20 |
| Complexity | 588.12396 |
Chemical Identifiers
| CAS Number | 433258-30-1 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)NC(=S)NCC2=CC=C(C=C2)F)C |
Product Overview
N-(3,5-dimethylphenyl)-N'-(4-fluorobenzyl)thiourea (CAS 433258-30-1), with molecular formula C16H17FN2S and molecular weight 288.11 g/mol. IUPAC: 1-(3,5-dimethylphenyl)-3-[(4-fluorophenyl)methyl]thiourea.
Chemical Property Profile of N-(3,5-dimethylphenyl)-N'-(4-fluorobenzyl)thiourea
Property Insights of N-(3,5-dimethylphenyl)-N'-(4-fluorobenzyl)thiourea
The XLogP value of 3.92914 indicates that N-(3,5-dimethylphenyl)-N'-(4-fluorobenzyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.06 Ų, N-(3,5-dimethylphenyl)-N'-(4-fluorobenzyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3,5-dimethylphenyl)-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-(3,5-dimethylphenyl)-N'-(4-fluorobenzyl)thiourea?
The CAS number of N-(3,5-dimethylphenyl)-N'-(4-fluorobenzyl)thiourea is 433258-30-1.
What is the molecular formula of N-(3,5-dimethylphenyl)-N'-(4-fluorobenzyl)thiourea?
The molecular formula of N-(3,5-dimethylphenyl)-N'-(4-fluorobenzyl)thiourea is C16H17FN2S.
What is the molecular weight of N-(3,5-dimethylphenyl)-N'-(4-fluorobenzyl)thiourea?
The molecular weight of N-(3,5-dimethylphenyl)-N'-(4-fluorobenzyl)thiourea is 288.11 g/mol.
Where can I buy N-(3,5-dimethylphenyl)-N'-(4-fluorobenzyl)thiourea?
You can request a quote for N-(3,5-dimethylphenyl)-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-(3,5-dimethylphenyl)-N'-(4-fluorobenzyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-(3,5-dimethylphenyl)-N'-(4-fluorobenzyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.