1-(4-Butylphenyl)-3-(2-chlorobenzyl)thiourea
TL;DR: 1-(4-Butylphenyl)-3-(2-chlorobenzyl)thiourea (CAS 693240-97-0) is a chemical compound with molecular formula C18H21ClN2S and molecular weight 332.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-butylphenyl)-3-[(2-chlorophenyl)methyl]thiourea
Also Known As: 1-(4-butylphenyl)-3-(2-chlorobenzyl)thiourea, 1-(4-butylphenyl)-3-[(2-chlorophenyl)methyl]thiourea, N-(4-BUTYLPHENYL)-N'-(2-CHLOROBENZYL)THIOUREA, [(4-butylphenyl)amino]{[(2-chlorophenyl)methyl]amino}methane-1-thione
| Molecular Formula | C18H21ClN2S |
|---|---|
| Molecular Weight | 332.11 g/mol |
| LogP | 5.1692 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 332.1114 |
| Heavy Atoms | 22 |
| Complexity | 610.73914 |
Chemical Identifiers
| CAS Number | 693240-97-0 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)NC(=S)NCC2=CC=CC=C2Cl |
Product Overview
1-(4-Butylphenyl)-3-(2-chlorobenzyl)thiourea (CAS 693240-97-0), with molecular formula C18H21ClN2S and molecular weight 332.11 g/mol. IUPAC: 1-(4-butylphenyl)-3-[(2-chlorophenyl)methyl]thiourea.
Chemical Property Profile of 1-(4-Butylphenyl)-3-(2-chlorobenzyl)thiourea
Property Insights of 1-(4-Butylphenyl)-3-(2-chlorobenzyl)thiourea
The XLogP value of 5.1692 indicates that 1-(4-Butylphenyl)-3-(2-chlorobenzyl)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, 1-(4-Butylphenyl)-3-(2-chlorobenzyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Butylphenyl)-3-(2-chlorobenzyl)thiourea has 2 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(4-Butylphenyl)-3-(2-chlorobenzyl)thiourea?
The CAS number of 1-(4-Butylphenyl)-3-(2-chlorobenzyl)thiourea is 693240-97-0.
What is the molecular formula of 1-(4-Butylphenyl)-3-(2-chlorobenzyl)thiourea?
The molecular formula of 1-(4-Butylphenyl)-3-(2-chlorobenzyl)thiourea is C18H21ClN2S.
What is the molecular weight of 1-(4-Butylphenyl)-3-(2-chlorobenzyl)thiourea?
The molecular weight of 1-(4-Butylphenyl)-3-(2-chlorobenzyl)thiourea is 332.11 g/mol.
Where can I buy 1-(4-Butylphenyl)-3-(2-chlorobenzyl)thiourea?
You can request a quote for 1-(4-Butylphenyl)-3-(2-chlorobenzyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Butylphenyl)-3-(2-chlorobenzyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Butylphenyl)-3-(2-chlorobenzyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.