2-(Benzylthio)-4,6-dimethylpyrimidine
TL;DR: 2-(Benzylthio)-4,6-dimethylpyrimidine (CAS 3613-70-5) is a chemical compound with molecular formula C13H14N2S and molecular weight 230.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-4,6-dimethylpyrimidine
Also Known As: 2-(Benzylthio)-4,6-dimethylpyrimidine, 2-(benzylsulfanyl)-4,6-dimethylpyrimidine, 2-benzylsulfanyl-4,6-dimethylpyrimidine, 2-Benzylsulfanyl-4,6-dimethyl-pyrimidine, 2-Benzylthio-4,6-dimethylpyrimidine
| Molecular Formula | C13H14N2S |
|---|---|
| Molecular Weight | 230.09 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.08777 |
| Heavy Atoms | 16 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 3613-70-5 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SCC2=CC=CC=C2)C |
| InChIKey | KCFLWTLIRXUWNN-UHFFFAOYSA-N |
Product Overview
2-(Benzylthio)-4,6-dimethylpyrimidine (CAS 3613-70-5), with molecular formula C13H14N2S and molecular weight 230.09 g/mol. IUPAC: 2-benzylsulfanyl-4,6-dimethylpyrimidine.
Chemical Property Profile of 2-(Benzylthio)-4,6-dimethylpyrimidine
Property Insights of 2-(Benzylthio)-4,6-dimethylpyrimidine
The XLogP value of 3.3 indicates that 2-(Benzylthio)-4,6-dimethylpyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.1 Ų, 2-(Benzylthio)-4,6-dimethylpyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Benzylthio)-4,6-dimethylpyrimidine 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)-4,6-dimethylpyrimidine?
The CAS number of 2-(Benzylthio)-4,6-dimethylpyrimidine is 3613-70-5.
What is the molecular formula of 2-(Benzylthio)-4,6-dimethylpyrimidine?
The molecular formula of 2-(Benzylthio)-4,6-dimethylpyrimidine is C13H14N2S.
What is the molecular weight of 2-(Benzylthio)-4,6-dimethylpyrimidine?
The molecular weight of 2-(Benzylthio)-4,6-dimethylpyrimidine is 230.09 g/mol.
Where can I buy 2-(Benzylthio)-4,6-dimethylpyrimidine?
You can request a quote for 2-(Benzylthio)-4,6-dimethylpyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Benzylthio)-4,6-dimethylpyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylthio)-4,6-dimethylpyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.