3,5-Bis(methylsulfanyl)-1,2,4-triazine
TL;DR: 3,5-Bis(methylsulfanyl)-1,2,4-triazine (CAS 5102-66-9) is a chemical compound with molecular formula C5H7N3S2 and molecular weight 173.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-bis(methylsulfanyl)-1,2,4-triazine
Also Known As: 3,5-bis(methylsulfanyl)-1,2,4-triazine, 3,5-bis(methylthio)-1,2,4-triazine, 3,5-dimethylthio-1,2,4-triazine, InChI=1/C5H7N3S2/c1-9-4-3-6-8-5(7-4)10-2/h3H,1-2H
| Molecular Formula | C5H7N3S2 |
|---|---|
| Molecular Weight | 173.01 g/mol |
| LogP | 1.3154 |
| Topological Polar Surface Area | 38.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 173.00813 |
| Heavy Atoms | 10 |
| Complexity | 196.55296 |
Chemical Identifiers
| CAS Number | 5102-66-9 |
|---|---|
| SMILES | CSC1=CN=NC(=N1)SC |
Product Overview
3,5-Bis(methylsulfanyl)-1,2,4-triazine (CAS 5102-66-9), with molecular formula C5H7N3S2 and molecular weight 173.01 g/mol. IUPAC: 3,5-bis(methylsulfanyl)-1,2,4-triazine.
Chemical Property Profile of 3,5-Bis(methylsulfanyl)-1,2,4-triazine
Property Insights of 3,5-Bis(methylsulfanyl)-1,2,4-triazine
The XLogP value of 1.3154 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Bis(methylsulfanyl)-1,2,4-triazine. With a topological polar surface area (TPSA) of 38.67 Ų, 3,5-Bis(methylsulfanyl)-1,2,4-triazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Bis(methylsulfanyl)-1,2,4-triazine has 0 hydrogen bond donor(s) and 5 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 3,5-Bis(methylsulfanyl)-1,2,4-triazine?
The CAS number of 3,5-Bis(methylsulfanyl)-1,2,4-triazine is 5102-66-9.
What is the molecular formula of 3,5-Bis(methylsulfanyl)-1,2,4-triazine?
The molecular formula of 3,5-Bis(methylsulfanyl)-1,2,4-triazine is C5H7N3S2.
What is the molecular weight of 3,5-Bis(methylsulfanyl)-1,2,4-triazine?
The molecular weight of 3,5-Bis(methylsulfanyl)-1,2,4-triazine is 173.01 g/mol.
Where can I buy 3,5-Bis(methylsulfanyl)-1,2,4-triazine?
You can request a quote for 3,5-Bis(methylsulfanyl)-1,2,4-triazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Bis(methylsulfanyl)-1,2,4-triazine?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Bis(methylsulfanyl)-1,2,4-triazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.