5-(4-Chlorobenzyl)-2-thiouracil
TL;DR: 5-(4-Chlorobenzyl)-2-thiouracil (CAS 63204-27-3) is a chemical compound with molecular formula C11H9ClN2OS and molecular weight 252.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-chlorophenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: 5-(4-chlorobenzyl)-2-thiouracil, 5-[4-Chlorobenzyl]-2-thiouracil, 5-[(4-chlorophenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one, 5-(4-chlorobenzyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one, 5-(4-chloro-benzyl)-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one
| Molecular Formula | C11H9ClN2OS |
|---|---|
| Molecular Weight | 252.01 g/mol |
| LogP | 2.67669 |
| Topological Polar Surface Area | 48.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.0124 |
| Heavy Atoms | 16 |
| Complexity | 600.3719 |
Chemical Identifiers
| CAS Number | 63204-27-3 |
|---|---|
| SMILES | C1=CC(=CC=C1CC2=CNC(=S)NC2=O)Cl |
Product Overview
5-(4-Chlorobenzyl)-2-thiouracil (CAS 63204-27-3), with molecular formula C11H9ClN2OS and molecular weight 252.01 g/mol. IUPAC: 5-[(4-chlorophenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 5-(4-Chlorobenzyl)-2-thiouracil
Property Insights of 5-(4-Chlorobenzyl)-2-thiouracil
The XLogP value of 2.67669 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Chlorobenzyl)-2-thiouracil. With a topological polar surface area (TPSA) of 48.65 Ų, 5-(4-Chlorobenzyl)-2-thiouracil exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-Chlorobenzyl)-2-thiouracil has 2 hydrogen bond donor(s) and 2 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 5-(4-Chlorobenzyl)-2-thiouracil?
The CAS number of 5-(4-Chlorobenzyl)-2-thiouracil is 63204-27-3.
What is the molecular formula of 5-(4-Chlorobenzyl)-2-thiouracil?
The molecular formula of 5-(4-Chlorobenzyl)-2-thiouracil is C11H9ClN2OS.
What is the molecular weight of 5-(4-Chlorobenzyl)-2-thiouracil?
The molecular weight of 5-(4-Chlorobenzyl)-2-thiouracil is 252.01 g/mol.
Where can I buy 5-(4-Chlorobenzyl)-2-thiouracil?
You can request a quote for 5-(4-Chlorobenzyl)-2-thiouracil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Chlorobenzyl)-2-thiouracil?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Chlorobenzyl)-2-thiouracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.