2-(Hexylthio)-3-methylpyrazine
TL;DR: 2-(Hexylthio)-3-methylpyrazine (CAS 73972-65-3) is a chemical compound with molecular formula C11H18N2S and molecular weight 210.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hexylsulfanyl-3-methylpyrazine
Also Known As: 2-(Hexylthio)-3-methylpyrazine, Pyrazine, 2-(hexylthio)-3-methyl-, S(CCCCCC)c1nccnc1C, 2-hexylsulfanyl-3-methylpyrazine, 2-(hexylsulfanyl)-3-methylpyrazine
| Molecular Formula | C11H18N2S |
|---|---|
| Molecular Weight | 210.12 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 210.11906 |
| Heavy Atoms | 14 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 73972-65-3 |
|---|---|
| SMILES | CCCCCCSC1=NC=CN=C1C |
| InChIKey | DOLQRCIPELCOAZ-UHFFFAOYSA-N |
Product Overview
2-(Hexylthio)-3-methylpyrazine (CAS 73972-65-3), with molecular formula C11H18N2S and molecular weight 210.12 g/mol. IUPAC: 2-hexylsulfanyl-3-methylpyrazine.
Chemical Property Profile of 2-(Hexylthio)-3-methylpyrazine
Property Insights of 2-(Hexylthio)-3-methylpyrazine
The XLogP value of 4.1 indicates that 2-(Hexylthio)-3-methylpyrazine 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-(Hexylthio)-3-methylpyrazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Hexylthio)-3-methylpyrazine 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-(Hexylthio)-3-methylpyrazine?
The CAS number of 2-(Hexylthio)-3-methylpyrazine is 73972-65-3.
What is the molecular formula of 2-(Hexylthio)-3-methylpyrazine?
The molecular formula of 2-(Hexylthio)-3-methylpyrazine is C11H18N2S.
What is the molecular weight of 2-(Hexylthio)-3-methylpyrazine?
The molecular weight of 2-(Hexylthio)-3-methylpyrazine is 210.12 g/mol.
Where can I buy 2-(Hexylthio)-3-methylpyrazine?
You can request a quote for 2-(Hexylthio)-3-methylpyrazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Hexylthio)-3-methylpyrazine?
Yes, KEHONG BIO provides custom synthesis services for 2-(Hexylthio)-3-methylpyrazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.