1-(4-Chlorophenyl)-3-methylthiourea
TL;DR: 1-(4-Chlorophenyl)-3-methylthiourea (CAS 2740-97-8) is a chemical compound with molecular formula C8H9ClN2S and molecular weight 200.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-3-methylthiourea
Also Known As: 1-(4-chlorophenyl)-3-methylthiourea, TimTec1_001666, N-(4-chlorophenyl)-N'-methylthiourea, Thiourea, N-(4-chlorophenyl)-N'-methyl-, J1.392.438D
| Molecular Formula | C8H9ClN2S |
|---|---|
| Molecular Weight | 200.02 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 56.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 200.0175 |
| Heavy Atoms | 12 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 2740-97-8 |
|---|---|
| SMILES | CNC(=S)NC1=CC=C(C=C1)Cl |
| InChIKey | UKOJOHPYEVWPNN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Chlorophenyl)-3-methylthiourea (CAS 2740-97-8), with molecular formula C8H9ClN2S and molecular weight 200.02 g/mol. IUPAC: 1-(4-chlorophenyl)-3-methylthiourea.
Chemical Property Profile of 1-(4-Chlorophenyl)-3-methylthiourea
Property Insights of 1-(4-Chlorophenyl)-3-methylthiourea
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Chlorophenyl)-3-methylthiourea. With a topological polar surface area (TPSA) of 56.2 Ų, 1-(4-Chlorophenyl)-3-methylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chlorophenyl)-3-methylthiourea 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 1-(4-Chlorophenyl)-3-methylthiourea?
The CAS number of 1-(4-Chlorophenyl)-3-methylthiourea is 2740-97-8.
What is the molecular formula of 1-(4-Chlorophenyl)-3-methylthiourea?
The molecular formula of 1-(4-Chlorophenyl)-3-methylthiourea is C8H9ClN2S.
What is the molecular weight of 1-(4-Chlorophenyl)-3-methylthiourea?
The molecular weight of 1-(4-Chlorophenyl)-3-methylthiourea is 200.02 g/mol.
Where can I buy 1-(4-Chlorophenyl)-3-methylthiourea?
You can request a quote for 1-(4-Chlorophenyl)-3-methylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Chlorophenyl)-3-methylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorophenyl)-3-methylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.