2-Mercaptomethyl pyrazine
TL;DR: 2-Mercaptomethyl pyrazine (CAS 59021-02-2) is a chemical compound with molecular formula C5H6N2S and molecular weight 126.02517 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
pyrazin-2-ylmethanethiol
Also Known As: 2-Mercaptomethylpyrazine, pyrazin-2-ylmethanethiol, Pyrazinemethanethiol, Pyrazinylmethyl mercaptan, 2-Pyrazinemethanethiol
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H6N2S |
| Molecular Weight | 126.02517 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 26.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 126.02517 Da |
| Heavy Atoms | 8 |
| Complexity | 67.0 |
| Boiling Point | 44.00 to 45.00 °C. @ 0.07 mm Hg |
| Density | 1.148-1.156 |
| Refractive Index | 1.548-1.560 |
| Solubility | soluble in water, organic solvents, oils |
| SMILES | C1=CN=C(C=N1)CS |
| InChIKey | VQFGDOHENLRPFB-UHFFFAOYSA-N |
Chemical Property Profile of 2-Mercaptomethyl pyrazine
Property Insights of 2-Mercaptomethyl pyrazine
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Mercaptomethyl pyrazine. With a topological polar surface area (TPSA) of 26.8 Ų, 2-Mercaptomethyl pyrazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Mercaptomethyl pyrazine has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Mercaptomethyl pyrazine?
The CAS number of 2-Mercaptomethyl pyrazine is 59021-02-2.
What is the molecular formula of 2-Mercaptomethyl pyrazine?
The molecular formula of 2-Mercaptomethyl pyrazine is C5H6N2S.
What is the molecular weight of 2-Mercaptomethyl pyrazine?
The molecular weight of 2-Mercaptomethyl pyrazine is 126.02517 g/mol.
Where can I buy 2-Mercaptomethyl pyrazine?
You can request a quote for 2-Mercaptomethyl pyrazine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Mercaptomethyl pyrazine?
Yes, CoreyChem provides custom synthesis services for 2-Mercaptomethyl pyrazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.