![2-[(2-Methylphenyl)methylsulfanyl]pyrimidine structure](/static/products/6465/646511-08-2.webp)
2-[(2-Methylphenyl)methylsulfanyl]pyrimidine
TL;DR: 2-[(2-Methylphenyl)methylsulfanyl]pyrimidine (CAS 646511-08-2) is a chemical compound with molecular formula C12H12N2S and molecular weight 216.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-methylphenyl)methylsulfanyl]pyrimidine
Also Known As: 2-(o-tolylmethylsulfanyl)pyrimidine, 2-(2-Methylbenzylthio)-pyrimidine, 2-[(2-methylphenyl)methylsulfanyl]pyrimidine, 2-[(2-methylbenzyl)thio]pyrimidine, Pyrimidine, 2-[[(2-methylphenyl)methyl]thio]-
| Molecular Formula | C12H12N2S |
|---|---|
| Molecular Weight | 216.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.07211 |
| Heavy Atoms | 15 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 646511-08-2 |
|---|---|
| SMILES | CC1=CC=CC=C1CSC2=NC=CC=N2 |
| InChIKey | QAWDEMVOGAJEEJ-UHFFFAOYSA-N |
Product Overview
2-[(2-Methylphenyl)methylsulfanyl]pyrimidine (CAS 646511-08-2), with molecular formula C12H12N2S and molecular weight 216.07 g/mol. IUPAC: 2-[(2-methylphenyl)methylsulfanyl]pyrimidine.
Chemical Property Profile of 2-[(2-Methylphenyl)methylsulfanyl]pyrimidine
Property Insights of 2-[(2-Methylphenyl)methylsulfanyl]pyrimidine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2-Methylphenyl)methylsulfanyl]pyrimidine. With a topological polar surface area (TPSA) of 51.1 Ų, 2-[(2-Methylphenyl)methylsulfanyl]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(2-Methylphenyl)methylsulfanyl]pyrimidine has 0 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-[(2-Methylphenyl)methylsulfanyl]pyrimidine?
The CAS number of 2-[(2-Methylphenyl)methylsulfanyl]pyrimidine is 646511-08-2.
What is the molecular formula of 2-[(2-Methylphenyl)methylsulfanyl]pyrimidine?
The molecular formula of 2-[(2-Methylphenyl)methylsulfanyl]pyrimidine is C12H12N2S.
What is the molecular weight of 2-[(2-Methylphenyl)methylsulfanyl]pyrimidine?
The molecular weight of 2-[(2-Methylphenyl)methylsulfanyl]pyrimidine is 216.07 g/mol.
Where can I buy 2-[(2-Methylphenyl)methylsulfanyl]pyrimidine?
You can request a quote for 2-[(2-Methylphenyl)methylsulfanyl]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2-Methylphenyl)methylsulfanyl]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-Methylphenyl)methylsulfanyl]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.