5-((4-Chlorophenyl)methyl)-2,3-dihydro-6-methyl-2-thioxo-4(1H)-pyrimidinone
TL;DR: 5-((4-Chlorophenyl)methyl)-2,3-dihydro-6-methyl-2-thioxo-4(1H)-pyrimidinone (CAS 36327-93-2) is a chemical compound with molecular formula C12H11ClN2OS and molecular weight 266.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-chlorophenyl)methyl]-6-methyl-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: 5-(4-chlorobenzyl)-2-mercapto-6-methylpyrimidin-4-ol, 5-(4-Chlorobenzyl)-6-methyl-2-thiouracil, 5-(4-chlorobenzyl)-6-methyl-2-sulfanylpyrimidin-4-ol, 5-[(4-chlorophenyl)methyl]-6-methyl-2-sulfanylidene-1H-pyrimidin-4-one, 5-[(4-CHLOROPHENYL)METHYL]-6-METHYL-2-SULFANYLPYRIMIDIN-4-OL
| Molecular Formula | C12H11ClN2OS |
|---|---|
| Molecular Weight | 266.03 g/mol |
| LogP | 2.98511 |
| Topological Polar Surface Area | 48.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 266.02808 |
| Heavy Atoms | 17 |
| Complexity | 642.7906 |
Chemical Identifiers
| CAS Number | 36327-93-2 |
|---|---|
| SMILES | CC1=C(C(=O)NC(=S)N1)CC2=CC=C(C=C2)Cl |
Product Overview
5-((4-Chlorophenyl)methyl)-2,3-dihydro-6-methyl-2-thioxo-4(1H)-pyrimidinone (CAS 36327-93-2), with molecular formula C12H11ClN2OS and molecular weight 266.03 g/mol. IUPAC: 5-[(4-chlorophenyl)methyl]-6-methyl-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 5-((4-Chlorophenyl)methyl)-2,3-dihydro-6-methyl-2-thioxo-4(1H)-pyrimidinone
Property Insights of 5-((4-Chlorophenyl)methyl)-2,3-dihydro-6-methyl-2-thioxo-4(1H)-pyrimidinone
The XLogP value of 2.98511 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-((4-Chlorophenyl)methyl)-2,3-dihydro-6-methyl-2-thioxo-4(1H)-pyrimidinone. With a topological polar surface area (TPSA) of 48.65 Ų, 5-((4-Chlorophenyl)methyl)-2,3-dihydro-6-methyl-2-thioxo-4(1H)-pyrimidinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-((4-Chlorophenyl)methyl)-2,3-dihydro-6-methyl-2-thioxo-4(1H)-pyrimidinone 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-Chlorophenyl)methyl)-2,3-dihydro-6-methyl-2-thioxo-4(1H)-pyrimidinone?
The CAS number of 5-((4-Chlorophenyl)methyl)-2,3-dihydro-6-methyl-2-thioxo-4(1H)-pyrimidinone is 36327-93-2.
What is the molecular formula of 5-((4-Chlorophenyl)methyl)-2,3-dihydro-6-methyl-2-thioxo-4(1H)-pyrimidinone?
The molecular formula of 5-((4-Chlorophenyl)methyl)-2,3-dihydro-6-methyl-2-thioxo-4(1H)-pyrimidinone is C12H11ClN2OS.
What is the molecular weight of 5-((4-Chlorophenyl)methyl)-2,3-dihydro-6-methyl-2-thioxo-4(1H)-pyrimidinone?
The molecular weight of 5-((4-Chlorophenyl)methyl)-2,3-dihydro-6-methyl-2-thioxo-4(1H)-pyrimidinone is 266.03 g/mol.
Where can I buy 5-((4-Chlorophenyl)methyl)-2,3-dihydro-6-methyl-2-thioxo-4(1H)-pyrimidinone?
You can request a quote for 5-((4-Chlorophenyl)methyl)-2,3-dihydro-6-methyl-2-thioxo-4(1H)-pyrimidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-((4-Chlorophenyl)methyl)-2,3-dihydro-6-methyl-2-thioxo-4(1H)-pyrimidinone?
Yes, KEHONG BIO provides custom synthesis services for 5-((4-Chlorophenyl)methyl)-2,3-dihydro-6-methyl-2-thioxo-4(1H)-pyrimidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.