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2-[(3-methylbenzyl)sulfanyl]-4(3H)-pyrimidinone
TL;DR: 2-[(3-methylbenzyl)sulfanyl]-4(3H)-pyrimidinone (CAS 347366-55-6) is a chemical compound with molecular formula C12H12N2OS and molecular weight 232.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-methylphenyl)methylsulfanyl]-1H-pyrimidin-6-one
Also Known As: 2-[(3-methylbenzyl)sulfanyl]pyrimidin-4-ol, 2-[(3-methylbenzyl)sulfanyl]-4(3H)-pyrimidinone, 2-((3-Methylbenzyl)thio)pyrimidin-4(3H)-one, 2-[(3-methylphenyl)methylsulfanyl]-1H-pyrimidin-6-one, AE-641/15339131
| Molecular Formula | C12H12N2OS |
|---|---|
| Molecular Weight | 232.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.06703 |
| Heavy Atoms | 16 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 347366-55-6 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CSC2=NC=CC(=O)N2 |
| InChIKey | KMWUBAOLSNGBHI-UHFFFAOYSA-N |
Product Overview
2-[(3-methylbenzyl)sulfanyl]-4(3H)-pyrimidinone (CAS 347366-55-6), with molecular formula C12H12N2OS and molecular weight 232.07 g/mol. IUPAC: 2-[(3-methylphenyl)methylsulfanyl]-1H-pyrimidin-6-one.
Chemical Property Profile of 2-[(3-methylbenzyl)sulfanyl]-4(3H)-pyrimidinone
Property Insights of 2-[(3-methylbenzyl)sulfanyl]-4(3H)-pyrimidinone
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3-methylbenzyl)sulfanyl]-4(3H)-pyrimidinone. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3-methylbenzyl)sulfanyl]-4(3H)-pyrimidinone. Following Lipinski's Rule of Five, 2-[(3-methylbenzyl)sulfanyl]-4(3H)-pyrimidinone has 1 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 2-[(3-methylbenzyl)sulfanyl]-4(3H)-pyrimidinone?
The CAS number of 2-[(3-methylbenzyl)sulfanyl]-4(3H)-pyrimidinone is 347366-55-6.
What is the molecular formula of 2-[(3-methylbenzyl)sulfanyl]-4(3H)-pyrimidinone?
The molecular formula of 2-[(3-methylbenzyl)sulfanyl]-4(3H)-pyrimidinone is C12H12N2OS.
What is the molecular weight of 2-[(3-methylbenzyl)sulfanyl]-4(3H)-pyrimidinone?
The molecular weight of 2-[(3-methylbenzyl)sulfanyl]-4(3H)-pyrimidinone is 232.07 g/mol.
Where can I buy 2-[(3-methylbenzyl)sulfanyl]-4(3H)-pyrimidinone?
You can request a quote for 2-[(3-methylbenzyl)sulfanyl]-4(3H)-pyrimidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-methylbenzyl)sulfanyl]-4(3H)-pyrimidinone?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-methylbenzyl)sulfanyl]-4(3H)-pyrimidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.