N-(3-chlorobenzyl)-N'-(4-chlorophenyl)thiourea
TL;DR: N-(3-chlorobenzyl)-N'-(4-chlorophenyl)thiourea (CAS 107774-92-5) is a chemical compound with molecular formula C14H12Cl2N2S and molecular weight 310.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-3-[(3-chlorophenyl)methyl]thiourea
Also Known As: N-(3-chlorobenzyl)-N'-(4-chlorophenyl)thiourea, 1-(4-chlorophenyl)-3-[(3-chlorophenyl)methyl]thiourea, N-(3-Chlorobenzyl)-N/'-(4-chlorophenyl)thiourea
| Molecular Formula | C14H12Cl2N2S |
|---|---|
| Molecular Weight | 310.01 g/mol |
| LogP | 4.48 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.00983 |
| Heavy Atoms | 19 |
| Complexity | 569.9136 |
Chemical Identifiers
| CAS Number | 107774-92-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)CNC(=S)NC2=CC=C(C=C2)Cl |
Product Overview
N-(3-chlorobenzyl)-N'-(4-chlorophenyl)thiourea (CAS 107774-92-5), with molecular formula C14H12Cl2N2S and molecular weight 310.01 g/mol. IUPAC: 1-(4-chlorophenyl)-3-[(3-chlorophenyl)methyl]thiourea.
Chemical Property Profile of N-(3-chlorobenzyl)-N'-(4-chlorophenyl)thiourea
Property Insights of N-(3-chlorobenzyl)-N'-(4-chlorophenyl)thiourea
The XLogP value of 4.48 indicates that N-(3-chlorobenzyl)-N'-(4-chlorophenyl)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-chlorobenzyl)-N'-(4-chlorophenyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-chlorobenzyl)-N'-(4-chlorophenyl)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-chlorobenzyl)-N'-(4-chlorophenyl)thiourea?
The CAS number of N-(3-chlorobenzyl)-N'-(4-chlorophenyl)thiourea is 107774-92-5.
What is the molecular formula of N-(3-chlorobenzyl)-N'-(4-chlorophenyl)thiourea?
The molecular formula of N-(3-chlorobenzyl)-N'-(4-chlorophenyl)thiourea is C14H12Cl2N2S.
What is the molecular weight of N-(3-chlorobenzyl)-N'-(4-chlorophenyl)thiourea?
The molecular weight of N-(3-chlorobenzyl)-N'-(4-chlorophenyl)thiourea is 310.01 g/mol.
Where can I buy N-(3-chlorobenzyl)-N'-(4-chlorophenyl)thiourea?
You can request a quote for N-(3-chlorobenzyl)-N'-(4-chlorophenyl)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-chlorobenzyl)-N'-(4-chlorophenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chlorobenzyl)-N'-(4-chlorophenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.