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2-[(4-Methylpyrimidin-2-yl)sulfanyl]-1-phenylethanone
TL;DR: 2-[(4-Methylpyrimidin-2-yl)sulfanyl]-1-phenylethanone (CAS 13897-03-5) is a chemical compound with molecular formula C13H12N2OS and molecular weight 244.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylpyrimidin-2-yl)sulfanyl-1-phenylethanone
Also Known As: NCIOpen2_006644, 2-[(4-methylpyrimidin-2-yl)sulfanyl]-1-phenylethanone, 2-(4-methylpyrimidin-2-yl)sulfanyl-1-phenylethanone, 2-(4-methylpyrimidin-2-ylthio)-1-phenylethan-1-one, 2-[(4-Methylpyrimidin-2-yl)sulfanyl]-1-phenylethan-1-one
| Molecular Formula | C13H12N2OS |
|---|---|
| Molecular Weight | 244.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 68.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 244.06703 |
| Heavy Atoms | 17 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 13897-03-5 |
|---|---|
| SMILES | CC1=NC(=NC=C1)SCC(=O)C2=CC=CC=C2 |
| InChIKey | NASDTOMIBFDQBS-UHFFFAOYSA-N |
Product Overview
2-[(4-Methylpyrimidin-2-yl)sulfanyl]-1-phenylethanone (CAS 13897-03-5), with molecular formula C13H12N2OS and molecular weight 244.07 g/mol. IUPAC: 2-(4-methylpyrimidin-2-yl)sulfanyl-1-phenylethanone.
Chemical Property Profile of 2-[(4-Methylpyrimidin-2-yl)sulfanyl]-1-phenylethanone
Property Insights of 2-[(4-Methylpyrimidin-2-yl)sulfanyl]-1-phenylethanone
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-Methylpyrimidin-2-yl)sulfanyl]-1-phenylethanone. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Methylpyrimidin-2-yl)sulfanyl]-1-phenylethanone. Following Lipinski's Rule of Five, 2-[(4-Methylpyrimidin-2-yl)sulfanyl]-1-phenylethanone has 0 hydrogen bond donor(s) and 4 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-[(4-Methylpyrimidin-2-yl)sulfanyl]-1-phenylethanone?
The CAS number of 2-[(4-Methylpyrimidin-2-yl)sulfanyl]-1-phenylethanone is 13897-03-5.
What is the molecular formula of 2-[(4-Methylpyrimidin-2-yl)sulfanyl]-1-phenylethanone?
The molecular formula of 2-[(4-Methylpyrimidin-2-yl)sulfanyl]-1-phenylethanone is C13H12N2OS.
What is the molecular weight of 2-[(4-Methylpyrimidin-2-yl)sulfanyl]-1-phenylethanone?
The molecular weight of 2-[(4-Methylpyrimidin-2-yl)sulfanyl]-1-phenylethanone is 244.07 g/mol.
Where can I buy 2-[(4-Methylpyrimidin-2-yl)sulfanyl]-1-phenylethanone?
You can request a quote for 2-[(4-Methylpyrimidin-2-yl)sulfanyl]-1-phenylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Methylpyrimidin-2-yl)sulfanyl]-1-phenylethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Methylpyrimidin-2-yl)sulfanyl]-1-phenylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.