3,6-Dimethyl-2(1H)-pyrazinethione
TL;DR: 3,6-Dimethyl-2(1H)-pyrazinethione (CAS 5788-49-8) is a chemical compound with molecular formula C6H8N2S and molecular weight 140.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-dimethyl-1H-pyrazine-2-thione
Also Known As: 3,6-Dimethylpyrazine-2-thiol, Pyrazinethiol, 3,6-dimethyl-, 3,6-Dimethyl-2(1H)-pyrazinethione, 2(1H)-Pyrazinethione, 3,6-dimethyl-, 3,6-dimethyl-1H-pyrazine-2-thione
| Molecular Formula | C6H8N2S |
|---|---|
| Molecular Weight | 140.04 g/mol |
| LogP | 1.75603 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 140.04082 |
| Heavy Atoms | 9 |
| Complexity | 264.00552 |
Chemical Identifiers
| CAS Number | 5788-49-8 |
|---|---|
| SMILES | CC1=CN=C(C(=S)N1)C |
Product Overview
3,6-Dimethyl-2(1H)-pyrazinethione (CAS 5788-49-8), with molecular formula C6H8N2S and molecular weight 140.04 g/mol. IUPAC: 3,6-dimethyl-1H-pyrazine-2-thione.
Chemical Property Profile of 3,6-Dimethyl-2(1H)-pyrazinethione
Property Insights of 3,6-Dimethyl-2(1H)-pyrazinethione
The XLogP value of 1.75603 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,6-Dimethyl-2(1H)-pyrazinethione. With a topological polar surface area (TPSA) of 28.68 Ų, 3,6-Dimethyl-2(1H)-pyrazinethione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,6-Dimethyl-2(1H)-pyrazinethione has 1 hydrogen bond donor(s) and 2 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 3,6-Dimethyl-2(1H)-pyrazinethione?
The CAS number of 3,6-Dimethyl-2(1H)-pyrazinethione is 5788-49-8.
What is the molecular formula of 3,6-Dimethyl-2(1H)-pyrazinethione?
The molecular formula of 3,6-Dimethyl-2(1H)-pyrazinethione is C6H8N2S.
What is the molecular weight of 3,6-Dimethyl-2(1H)-pyrazinethione?
The molecular weight of 3,6-Dimethyl-2(1H)-pyrazinethione is 140.04 g/mol.
Where can I buy 3,6-Dimethyl-2(1H)-pyrazinethione?
You can request a quote for 3,6-Dimethyl-2(1H)-pyrazinethione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-Dimethyl-2(1H)-pyrazinethione?
Yes, KEHONG BIO provides custom synthesis services for 3,6-Dimethyl-2(1H)-pyrazinethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.