2-(Methylsulfanyl)pyrimidine
TL;DR: 2-(Methylsulfanyl)pyrimidine (CAS 823-09-6) is a chemical compound with molecular formula C5H6N2S and molecular weight 126.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanylpyrimidine
Also Known As: 2-(Methylthio)pyrimidine, 2-Methylthiopyrimidine, 2-(methylsulfanyl)pyrimidine, 2-methylsulfanylpyrimidine, methyl thiopyrimidine
| Molecular Formula | C5H6N2S |
|---|---|
| Molecular Weight | 126.03 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 126.02517 |
| Heavy Atoms | 8 |
| Complexity | 61.0 |
Chemical Identifiers
| CAS Number | 823-09-6 |
|---|---|
| SMILES | CSC1=NC=CC=N1 |
| InChIKey | FOEMIZSFFWGXHX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Methylsulfanyl)pyrimidine (CAS 823-09-6), with molecular formula C5H6N2S and molecular weight 126.03 g/mol. IUPAC: 2-methylsulfanylpyrimidine.
Chemical Property Profile of 2-(Methylsulfanyl)pyrimidine
Property Insights of 2-(Methylsulfanyl)pyrimidine
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Methylsulfanyl)pyrimidine. With a topological polar surface area (TPSA) of 51.1 Ų, 2-(Methylsulfanyl)pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(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-(Methylsulfanyl)pyrimidine?
The CAS number of 2-(Methylsulfanyl)pyrimidine is 823-09-6.
What is the molecular formula of 2-(Methylsulfanyl)pyrimidine?
The molecular formula of 2-(Methylsulfanyl)pyrimidine is C5H6N2S.
What is the molecular weight of 2-(Methylsulfanyl)pyrimidine?
The molecular weight of 2-(Methylsulfanyl)pyrimidine is 126.03 g/mol.
Where can I buy 2-(Methylsulfanyl)pyrimidine?
You can request a quote for 2-(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-(Methylsulfanyl)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylsulfanyl)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.