![6-{[(4-chlorophenyl)thio]methyl}-2-mercaptopyrimidin-4(3H)-one structure](/static/products/3545/354538-71-9.webp)
6-{[(4-chlorophenyl)thio]methyl}-2-mercaptopyrimidin-4(3H)-one
TL;DR: 6-{[(4-chlorophenyl)thio]methyl}-2-mercaptopyrimidin-4(3H)-one (CAS 354538-71-9) is a chemical compound with molecular formula C11H9ClN2OS2 and molecular weight 283.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(4-chlorophenyl)sulfanylmethyl]-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: 6-{[(4-chlorophenyl)thio]methyl}-2-mercaptopyrimidin-4(3H)-one, BAS 01922007, 6-[(4-chlorophenyl)sulfanylmethyl]-2-sulfanylidene-1H-pyrimidin-4-one, 6-([(4-Chlorophenyl)thio]methyl)-2-mercaptopyrimidin-4(3h)-one, 6-(((4-Chlorophenyl)thio)methyl)-2-mercaptopyrimidin-4-ol
| Molecular Formula | C11H9ClN2OS2 |
|---|---|
| Molecular Weight | 283.98 g/mol |
| LogP | 3.37819 |
| Topological Polar Surface Area | 48.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.9845 |
| Heavy Atoms | 17 |
| Complexity | 590.1088 |
Chemical Identifiers
| CAS Number | 354538-71-9 |
|---|---|
| SMILES | C1=CC(=CC=C1SCC2=CC(=O)NC(=S)N2)Cl |
Product Overview
6-{[(4-chlorophenyl)thio]methyl}-2-mercaptopyrimidin-4(3H)-one (CAS 354538-71-9), with molecular formula C11H9ClN2OS2 and molecular weight 283.98 g/mol. IUPAC: 6-[(4-chlorophenyl)sulfanylmethyl]-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 6-{[(4-chlorophenyl)thio]methyl}-2-mercaptopyrimidin-4(3H)-one
Property Insights of 6-{[(4-chlorophenyl)thio]methyl}-2-mercaptopyrimidin-4(3H)-one
The XLogP value of 3.37819 indicates that 6-{[(4-chlorophenyl)thio]methyl}-2-mercaptopyrimidin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.65 Ų, 6-{[(4-chlorophenyl)thio]methyl}-2-mercaptopyrimidin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-{[(4-chlorophenyl)thio]methyl}-2-mercaptopyrimidin-4(3H)-one has 2 hydrogen bond donor(s) and 3 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 6-{[(4-chlorophenyl)thio]methyl}-2-mercaptopyrimidin-4(3H)-one?
The CAS number of 6-{[(4-chlorophenyl)thio]methyl}-2-mercaptopyrimidin-4(3H)-one is 354538-71-9.
What is the molecular formula of 6-{[(4-chlorophenyl)thio]methyl}-2-mercaptopyrimidin-4(3H)-one?
The molecular formula of 6-{[(4-chlorophenyl)thio]methyl}-2-mercaptopyrimidin-4(3H)-one is C11H9ClN2OS2.
What is the molecular weight of 6-{[(4-chlorophenyl)thio]methyl}-2-mercaptopyrimidin-4(3H)-one?
The molecular weight of 6-{[(4-chlorophenyl)thio]methyl}-2-mercaptopyrimidin-4(3H)-one is 283.98 g/mol.
Where can I buy 6-{[(4-chlorophenyl)thio]methyl}-2-mercaptopyrimidin-4(3H)-one?
You can request a quote for 6-{[(4-chlorophenyl)thio]methyl}-2-mercaptopyrimidin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-{[(4-chlorophenyl)thio]methyl}-2-mercaptopyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-{[(4-chlorophenyl)thio]methyl}-2-mercaptopyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.