Pyrazine, 2-butyl-3-ethylthio
TL;DR: Pyrazine, 2-butyl-3-ethylthio (CAS 113685-91-9) is a chemical compound with molecular formula C10H16N2S and molecular weight 196.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butyl-3-ethylsulfanylpyrazine
Also Known As: Pyrazine, 2-butyl-3-ethylthio, 2-butyl-3-ethylsulfanylpyrazine, Pyrazine, 2-butyl-3-(ethylthio)-
| Molecular Formula | C10H16N2S |
|---|---|
| Molecular Weight | 196.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 196.10342 |
| Heavy Atoms | 13 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 113685-91-9 |
|---|---|
| SMILES | CCCCC1=NC=CN=C1SCC |
| InChIKey | VMWYEIJLACFMMH-UHFFFAOYSA-N |
Product Overview
Pyrazine, 2-butyl-3-ethylthio (CAS 113685-91-9), with molecular formula C10H16N2S and molecular weight 196.10 g/mol. IUPAC: 2-butyl-3-ethylsulfanylpyrazine.
Chemical Property Profile of Pyrazine, 2-butyl-3-ethylthio
Property Insights of Pyrazine, 2-butyl-3-ethylthio
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrazine, 2-butyl-3-ethylthio. With a topological polar surface area (TPSA) of 51.1 Ų, Pyrazine, 2-butyl-3-ethylthio exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrazine, 2-butyl-3-ethylthio 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 Pyrazine, 2-butyl-3-ethylthio?
The CAS number of Pyrazine, 2-butyl-3-ethylthio is 113685-91-9.
What is the molecular formula of Pyrazine, 2-butyl-3-ethylthio?
The molecular formula of Pyrazine, 2-butyl-3-ethylthio is C10H16N2S.
What is the molecular weight of Pyrazine, 2-butyl-3-ethylthio?
The molecular weight of Pyrazine, 2-butyl-3-ethylthio is 196.10 g/mol.
Where can I buy Pyrazine, 2-butyl-3-ethylthio?
You can request a quote for Pyrazine, 2-butyl-3-ethylthio directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrazine, 2-butyl-3-ethylthio?
Yes, KEHONG BIO provides custom synthesis services for Pyrazine, 2-butyl-3-ethylthio and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.