1-(4-Chlorobenzyl)-3-methylthiourea
TL;DR: 1-(4-Chlorobenzyl)-3-methylthiourea (CAS 13278-52-9) is a chemical compound with molecular formula C9H11ClN2S and molecular weight 214.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-chlorophenyl)methyl]-3-methylthiourea
Also Known As: 1-(4-chlorobenzyl)-3-methylthiourea, N-methyl-N'-(4-chlorobenzyl)thiourea, N-(4-chlorobenzyl)-N'-methylthiourea, 1-(4-chloro-benzyl)-3-methyl-thiourea, 1-[(4-chlorophenyl)methyl]-3-methylthiourea
| Molecular Formula | C9H11ClN2S |
|---|---|
| Molecular Weight | 214.03 g/mol |
| LogP | 1.9339 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.03314 |
| Heavy Atoms | 13 |
| Complexity | 284.1711 |
Chemical Identifiers
| CAS Number | 13278-52-9 |
|---|---|
| SMILES | CNC(=S)NCC1=CC=C(C=C1)Cl |
Product Overview
1-(4-Chlorobenzyl)-3-methylthiourea (CAS 13278-52-9), with molecular formula C9H11ClN2S and molecular weight 214.03 g/mol. IUPAC: 1-[(4-chlorophenyl)methyl]-3-methylthiourea.
Chemical Property Profile of 1-(4-Chlorobenzyl)-3-methylthiourea
Property Insights of 1-(4-Chlorobenzyl)-3-methylthiourea
The XLogP value of 1.9339 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Chlorobenzyl)-3-methylthiourea. With a topological polar surface area (TPSA) of 24.06 Ų, 1-(4-Chlorobenzyl)-3-methylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chlorobenzyl)-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-Chlorobenzyl)-3-methylthiourea?
The CAS number of 1-(4-Chlorobenzyl)-3-methylthiourea is 13278-52-9.
What is the molecular formula of 1-(4-Chlorobenzyl)-3-methylthiourea?
The molecular formula of 1-(4-Chlorobenzyl)-3-methylthiourea is C9H11ClN2S.
What is the molecular weight of 1-(4-Chlorobenzyl)-3-methylthiourea?
The molecular weight of 1-(4-Chlorobenzyl)-3-methylthiourea is 214.03 g/mol.
Where can I buy 1-(4-Chlorobenzyl)-3-methylthiourea?
You can request a quote for 1-(4-Chlorobenzyl)-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-Chlorobenzyl)-3-methylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorobenzyl)-3-methylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.