(Methylthio)pyrazine
TL;DR: (Methylthio)pyrazine (CAS 21948-70-9) 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-methylsulfanylpyrazine
Also Known As: 2-(Methylthio)pyrazine, 2-Methylthiopyrazine, 2-methylsulfanylpyrazine, Pyrazine, (methylthio)-, Pyrazinyl methyl sulfide
| Molecular Formula | C5H6N2S |
|---|---|
| Molecular Weight | 126.03 g/mol |
| LogP | 1.2 |
| 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 | 67.0 |
Chemical Identifiers
| CAS Number | 21948-70-9 |
|---|---|
| SMILES | CSC1=NC=CN=C1 |
| InChIKey | KBPBOWBQRUXMFV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(Methylthio)pyrazine (CAS 21948-70-9), with molecular formula C5H6N2S and molecular weight 126.03 g/mol. IUPAC: 2-methylsulfanylpyrazine.
Chemical Property Profile of (Methylthio)pyrazine
Property Insights of (Methylthio)pyrazine
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Methylthio)pyrazine. With a topological polar surface area (TPSA) of 51.1 Ų, (Methylthio)pyrazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Methylthio)pyrazine 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 (Methylthio)pyrazine?
The CAS number of (Methylthio)pyrazine is 21948-70-9.
What is the molecular formula of (Methylthio)pyrazine?
The molecular formula of (Methylthio)pyrazine is C5H6N2S.
What is the molecular weight of (Methylthio)pyrazine?
The molecular weight of (Methylthio)pyrazine is 126.03 g/mol.
Where can I buy (Methylthio)pyrazine?
You can request a quote for (Methylthio)pyrazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Methylthio)pyrazine?
Yes, KEHONG BIO provides custom synthesis services for (Methylthio)pyrazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.