N'-(4-Chloro-2-methylphenyl)-N,N-diethylthiourea
TL;DR: N'-(4-Chloro-2-methylphenyl)-N,N-diethylthiourea (CAS 28217-99-4) is a chemical compound with molecular formula C12H17ClN2S and molecular weight 256.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chloro-2-methylphenyl)-1,1-diethylthiourea
Also Known As: N'-(4-Chloro-2-methylphenyl)-N,N-diethylthiourea, 3-(4-chloro-2-methylphenyl)-1,1-diethylthiourea, 3-(4-chloro-2-methyl-phenyl)-1,1-diethyl-thiourea, Na(2)-(4-Chloro-2-methylphenyl)-N,N-diethylthiourea
| Molecular Formula | C12H17ClN2S |
|---|---|
| Molecular Weight | 256.08 g/mol |
| LogP | 3.68702 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.0801 |
| Heavy Atoms | 16 |
| Complexity | 375.28156 |
Chemical Identifiers
| CAS Number | 28217-99-4 |
|---|---|
| SMILES | CCN(CC)C(=S)NC1=C(C=C(C=C1)Cl)C |
Product Overview
N'-(4-Chloro-2-methylphenyl)-N,N-diethylthiourea (CAS 28217-99-4), with molecular formula C12H17ClN2S and molecular weight 256.08 g/mol. IUPAC: 3-(4-chloro-2-methylphenyl)-1,1-diethylthiourea.
Chemical Property Profile of N'-(4-Chloro-2-methylphenyl)-N,N-diethylthiourea
Property Insights of N'-(4-Chloro-2-methylphenyl)-N,N-diethylthiourea
The XLogP value of 3.68702 indicates that N'-(4-Chloro-2-methylphenyl)-N,N-diethylthiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.27 Ų, N'-(4-Chloro-2-methylphenyl)-N,N-diethylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N'-(4-Chloro-2-methylphenyl)-N,N-diethylthiourea has 1 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'-(4-Chloro-2-methylphenyl)-N,N-diethylthiourea?
The CAS number of N'-(4-Chloro-2-methylphenyl)-N,N-diethylthiourea is 28217-99-4.
What is the molecular formula of N'-(4-Chloro-2-methylphenyl)-N,N-diethylthiourea?
The molecular formula of N'-(4-Chloro-2-methylphenyl)-N,N-diethylthiourea is C12H17ClN2S.
What is the molecular weight of N'-(4-Chloro-2-methylphenyl)-N,N-diethylthiourea?
The molecular weight of N'-(4-Chloro-2-methylphenyl)-N,N-diethylthiourea is 256.08 g/mol.
Where can I buy N'-(4-Chloro-2-methylphenyl)-N,N-diethylthiourea?
You can request a quote for N'-(4-Chloro-2-methylphenyl)-N,N-diethylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-(4-Chloro-2-methylphenyl)-N,N-diethylthiourea?
Yes, KEHONG BIO provides custom synthesis services for N'-(4-Chloro-2-methylphenyl)-N,N-diethylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.