1-(4-Chlorobenzyl)-3-ethylthiourea
TL;DR: 1-(4-Chlorobenzyl)-3-ethylthiourea (CAS 57294-95-8) is a chemical compound with molecular formula C10H13ClN2S and molecular weight 228.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-chlorophenyl)methyl]-3-ethylthiourea
Also Known As: 1-(4-chlorobenzyl)-3-ethylthiourea, 1-[(4-chlorophenyl)methyl]-3-ethylthiourea, N-(4-chlorobenzyl)-N'-ethylthiourea, J2.210.062I
| Molecular Formula | C10H13ClN2S |
|---|---|
| Molecular Weight | 228.05 g/mol |
| LogP | 2.324 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.0488 |
| Heavy Atoms | 14 |
| Complexity | 297.49524 |
Chemical Identifiers
| CAS Number | 57294-95-8 |
|---|---|
| SMILES | CCNC(=S)NCC1=CC=C(C=C1)Cl |
Product Overview
1-(4-Chlorobenzyl)-3-ethylthiourea (CAS 57294-95-8), with molecular formula C10H13ClN2S and molecular weight 228.05 g/mol. IUPAC: 1-[(4-chlorophenyl)methyl]-3-ethylthiourea.
Chemical Property Profile of 1-(4-Chlorobenzyl)-3-ethylthiourea
Property Insights of 1-(4-Chlorobenzyl)-3-ethylthiourea
The XLogP value of 2.324 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Chlorobenzyl)-3-ethylthiourea. With a topological polar surface area (TPSA) of 24.06 Ų, 1-(4-Chlorobenzyl)-3-ethylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chlorobenzyl)-3-ethylthiourea 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-ethylthiourea?
The CAS number of 1-(4-Chlorobenzyl)-3-ethylthiourea is 57294-95-8.
What is the molecular formula of 1-(4-Chlorobenzyl)-3-ethylthiourea?
The molecular formula of 1-(4-Chlorobenzyl)-3-ethylthiourea is C10H13ClN2S.
What is the molecular weight of 1-(4-Chlorobenzyl)-3-ethylthiourea?
The molecular weight of 1-(4-Chlorobenzyl)-3-ethylthiourea is 228.05 g/mol.
Where can I buy 1-(4-Chlorobenzyl)-3-ethylthiourea?
You can request a quote for 1-(4-Chlorobenzyl)-3-ethylthiourea 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-ethylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorobenzyl)-3-ethylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.