N-(4-Chlorophenyl)-N'-(2-sulfanylphenyl)urea
TL;DR: N-(4-Chlorophenyl)-N'-(2-sulfanylphenyl)urea (CAS 500862-44-2) is a chemical compound with molecular formula C13H11ClN2OS and molecular weight 278.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-3-(2-sulfanylphenyl)urea
Also Known As: 1-(4-chlorophenyl)-3-(2-sulfanylphenyl)urea, N-(4-Chlorophenyl)-N'-(2-mercaptophenyl)urea, N-(4-Chlorophenyl)-N'-(2-sulfanylphenyl)urea, N-(4-Chlorophenyl)-Na(2)-(2-mercaptophenyl)urea, [(4-chlorophenyl)amino]-N-(2-sulfanylphenyl)carboxamide
| Molecular Formula | C13H11ClN2OS |
|---|---|
| Molecular Weight | 278.03 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 42.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.02808 |
| Heavy Atoms | 18 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 500862-44-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NC(=O)NC2=CC=C(C=C2)Cl)S |
| InChIKey | KGYSMDMQWNQDMR-UHFFFAOYSA-N |
Product Overview
N-(4-Chlorophenyl)-N'-(2-sulfanylphenyl)urea (CAS 500862-44-2), with molecular formula C13H11ClN2OS and molecular weight 278.03 g/mol. IUPAC: 1-(4-chlorophenyl)-3-(2-sulfanylphenyl)urea.
Chemical Property Profile of N-(4-Chlorophenyl)-N'-(2-sulfanylphenyl)urea
Property Insights of N-(4-Chlorophenyl)-N'-(2-sulfanylphenyl)urea
The XLogP value of 3.3 indicates that N-(4-Chlorophenyl)-N'-(2-sulfanylphenyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.1 Ų, N-(4-Chlorophenyl)-N'-(2-sulfanylphenyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-Chlorophenyl)-N'-(2-sulfanylphenyl)urea has 3 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 N-(4-Chlorophenyl)-N'-(2-sulfanylphenyl)urea?
The CAS number of N-(4-Chlorophenyl)-N'-(2-sulfanylphenyl)urea is 500862-44-2.
What is the molecular formula of N-(4-Chlorophenyl)-N'-(2-sulfanylphenyl)urea?
The molecular formula of N-(4-Chlorophenyl)-N'-(2-sulfanylphenyl)urea is C13H11ClN2OS.
What is the molecular weight of N-(4-Chlorophenyl)-N'-(2-sulfanylphenyl)urea?
The molecular weight of N-(4-Chlorophenyl)-N'-(2-sulfanylphenyl)urea is 278.03 g/mol.
Where can I buy N-(4-Chlorophenyl)-N'-(2-sulfanylphenyl)urea?
You can request a quote for N-(4-Chlorophenyl)-N'-(2-sulfanylphenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-Chlorophenyl)-N'-(2-sulfanylphenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Chlorophenyl)-N'-(2-sulfanylphenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.