N-(4-Chlorophenyl)-N-methyl-N'-phenylthiourea
TL;DR: N-(4-Chlorophenyl)-N-methyl-N'-phenylthiourea (CAS 329699-55-0) is a chemical compound with molecular formula C14H13ClN2S and molecular weight 276.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-1-methyl-3-phenylthiourea
Also Known As: N-(4-Chlorophenyl)-N-methyl-N'-phenylthiourea, 1-(4-chlorophenyl)-1-methyl-3-phenylthiourea, N-(4-Chlorophenyl)-N-methyl-Na(2)-phenylthiourea, [(4-chlorophenyl)methylamino](phenylamino)methane-1-thione
| Molecular Formula | C14H13ClN2S |
|---|---|
| Molecular Weight | 276.05 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 47.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 276.0488 |
| Heavy Atoms | 18 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 329699-55-0 |
|---|---|
| SMILES | CN(C1=CC=C(C=C1)Cl)C(=S)NC2=CC=CC=C2 |
| InChIKey | QOPILIQXRSLOCA-UHFFFAOYSA-N |
Product Overview
N-(4-Chlorophenyl)-N-methyl-N'-phenylthiourea (CAS 329699-55-0), with molecular formula C14H13ClN2S and molecular weight 276.05 g/mol. IUPAC: 1-(4-chlorophenyl)-1-methyl-3-phenylthiourea.
Chemical Property Profile of N-(4-Chlorophenyl)-N-methyl-N'-phenylthiourea
Property Insights of N-(4-Chlorophenyl)-N-methyl-N'-phenylthiourea
The XLogP value of 3.9 indicates that N-(4-Chlorophenyl)-N-methyl-N'-phenylthiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.4 Ų, N-(4-Chlorophenyl)-N-methyl-N'-phenylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-Chlorophenyl)-N-methyl-N'-phenylthiourea 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-Chlorophenyl)-N-methyl-N'-phenylthiourea?
The CAS number of N-(4-Chlorophenyl)-N-methyl-N'-phenylthiourea is 329699-55-0.
What is the molecular formula of N-(4-Chlorophenyl)-N-methyl-N'-phenylthiourea?
The molecular formula of N-(4-Chlorophenyl)-N-methyl-N'-phenylthiourea is C14H13ClN2S.
What is the molecular weight of N-(4-Chlorophenyl)-N-methyl-N'-phenylthiourea?
The molecular weight of N-(4-Chlorophenyl)-N-methyl-N'-phenylthiourea is 276.05 g/mol.
Where can I buy N-(4-Chlorophenyl)-N-methyl-N'-phenylthiourea?
You can request a quote for N-(4-Chlorophenyl)-N-methyl-N'-phenylthiourea 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-methyl-N'-phenylthiourea?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Chlorophenyl)-N-methyl-N'-phenylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.