2-(Benzylthio)-4-methylpyrimidine
TL;DR: 2-(Benzylthio)-4-methylpyrimidine (CAS 393519-09-0) 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-benzylsulfanyl-4-methylpyrimidine
Also Known As: 2-(Benzylthio)-4-methylpyrimidine, 2-benzylsulfanyl-4-methylpyrimidine, 2-benzylsulfanyl-4-methyl-pyrimidine, 4-methyl-2-(phenylmethylthio)pyrimidine, 2-(BENZYLSULFANYL)-4-METHYLPYRIMIDINE
| Molecular Formula | C12H12N2S |
|---|---|
| Molecular Weight | 216.07 g/mol |
| LogP | 3.07732 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.07211 |
| Heavy Atoms | 15 |
| Complexity | 428.64706 |
Chemical Identifiers
| CAS Number | 393519-09-0 |
|---|---|
| SMILES | CC1=NC(=NC=C1)SCC2=CC=CC=C2 |
Product Overview
2-(Benzylthio)-4-methylpyrimidine (CAS 393519-09-0), with molecular formula C12H12N2S and molecular weight 216.07 g/mol. IUPAC: 2-benzylsulfanyl-4-methylpyrimidine.
Chemical Property Profile of 2-(Benzylthio)-4-methylpyrimidine
Property Insights of 2-(Benzylthio)-4-methylpyrimidine
The XLogP value of 3.07732 indicates that 2-(Benzylthio)-4-methylpyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.78 Ų, 2-(Benzylthio)-4-methylpyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Benzylthio)-4-methylpyrimidine 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-(Benzylthio)-4-methylpyrimidine?
The CAS number of 2-(Benzylthio)-4-methylpyrimidine is 393519-09-0.
What is the molecular formula of 2-(Benzylthio)-4-methylpyrimidine?
The molecular formula of 2-(Benzylthio)-4-methylpyrimidine is C12H12N2S.
What is the molecular weight of 2-(Benzylthio)-4-methylpyrimidine?
The molecular weight of 2-(Benzylthio)-4-methylpyrimidine is 216.07 g/mol.
Where can I buy 2-(Benzylthio)-4-methylpyrimidine?
You can request a quote for 2-(Benzylthio)-4-methylpyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Benzylthio)-4-methylpyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylthio)-4-methylpyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.