6-Methyl-1,2,4-triazine-3,5-dithiol
TL;DR: 6-Methyl-1,2,4-triazine-3,5-dithiol (CAS 452-88-0) is a chemical compound with molecular formula C4H5N3S2 and molecular weight 158.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-2H-1,2,4-triazine-3,5-dithione
Also Known As: 6-methyl-1,2,4-triazine-3,5-dithiol, 1,2,4-Triazine-3,5(2H,4H)-dithione, 6-methyl-, 6-methyl-2H-1,2,4-triazine-3,5-dithione, 3,5-Dithiono-6-methyl-1,2,4-triazine, 6-Methyl-1,2,4-triazine-3,5(2H,4H)-dithione
| Molecular Formula | C4H5N3S2 |
|---|---|
| Molecular Weight | 158.99 g/mol |
| LogP | 1.5052 |
| Topological Polar Surface Area | 44.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 158.9925 |
| Heavy Atoms | 9 |
| Complexity | 310.07904 |
Chemical Identifiers
| CAS Number | 452-88-0 |
|---|---|
| SMILES | CC1=NNC(=S)NC1=S |
Product Overview
6-Methyl-1,2,4-triazine-3,5-dithiol (CAS 452-88-0), with molecular formula C4H5N3S2 and molecular weight 158.99 g/mol. IUPAC: 6-methyl-2H-1,2,4-triazine-3,5-dithione.
Chemical Property Profile of 6-Methyl-1,2,4-triazine-3,5-dithiol
Property Insights of 6-Methyl-1,2,4-triazine-3,5-dithiol
The XLogP value of 1.5052 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methyl-1,2,4-triazine-3,5-dithiol. With a topological polar surface area (TPSA) of 44.47 Ų, 6-Methyl-1,2,4-triazine-3,5-dithiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methyl-1,2,4-triazine-3,5-dithiol has 2 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 6-Methyl-1,2,4-triazine-3,5-dithiol?
The CAS number of 6-Methyl-1,2,4-triazine-3,5-dithiol is 452-88-0.
What is the molecular formula of 6-Methyl-1,2,4-triazine-3,5-dithiol?
The molecular formula of 6-Methyl-1,2,4-triazine-3,5-dithiol is C4H5N3S2.
What is the molecular weight of 6-Methyl-1,2,4-triazine-3,5-dithiol?
The molecular weight of 6-Methyl-1,2,4-triazine-3,5-dithiol is 158.99 g/mol.
Where can I buy 6-Methyl-1,2,4-triazine-3,5-dithiol?
You can request a quote for 6-Methyl-1,2,4-triazine-3,5-dithiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methyl-1,2,4-triazine-3,5-dithiol?
Yes, KEHONG BIO provides custom synthesis services for 6-Methyl-1,2,4-triazine-3,5-dithiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.