N-butyl-N'-(4-chlorophenyl)thiourea
TL;DR: N-butyl-N'-(4-chlorophenyl)thiourea (CAS 22014-71-7) is a chemical compound with molecular formula C11H15ClN2S and molecular weight 242.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-3-(4-chlorophenyl)thiourea
Also Known As: 1-butyl-3-(4-chlorophenyl)thiourea, N-butyl-N'-(4-chlorophenyl)thiourea, 1-n-butyl,3-(4-chlorophenyl)-thio-urea, AE-641/00413052
| Molecular Formula | C11H15ClN2S |
|---|---|
| Molecular Weight | 242.06 g/mol |
| LogP | 3.4265 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 242.06445 |
| Heavy Atoms | 15 |
| Complexity | 310.8689 |
Chemical Identifiers
| CAS Number | 22014-71-7 |
|---|---|
| SMILES | CCCCNC(=S)NC1=CC=C(C=C1)Cl |
Product Overview
N-butyl-N'-(4-chlorophenyl)thiourea (CAS 22014-71-7), with molecular formula C11H15ClN2S and molecular weight 242.06 g/mol. IUPAC: 1-butyl-3-(4-chlorophenyl)thiourea.
Chemical Property Profile of N-butyl-N'-(4-chlorophenyl)thiourea
Property Insights of N-butyl-N'-(4-chlorophenyl)thiourea
The XLogP value of 3.4265 indicates that N-butyl-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-butyl-N'-(4-chlorophenyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-butyl-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-butyl-N'-(4-chlorophenyl)thiourea?
The CAS number of N-butyl-N'-(4-chlorophenyl)thiourea is 22014-71-7.
What is the molecular formula of N-butyl-N'-(4-chlorophenyl)thiourea?
The molecular formula of N-butyl-N'-(4-chlorophenyl)thiourea is C11H15ClN2S.
What is the molecular weight of N-butyl-N'-(4-chlorophenyl)thiourea?
The molecular weight of N-butyl-N'-(4-chlorophenyl)thiourea is 242.06 g/mol.
Where can I buy N-butyl-N'-(4-chlorophenyl)thiourea?
You can request a quote for N-butyl-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-butyl-N'-(4-chlorophenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-butyl-N'-(4-chlorophenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.