3,5,6-Tris(methylsulfanyl)-1,2,4-triazine
TL;DR: 3,5,6-Tris(methylsulfanyl)-1,2,4-triazine (CAS 31697-27-5) is a chemical compound with molecular formula C6H9N3S3 and molecular weight 219.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5,6-tris(methylsulfanyl)-1,2,4-triazine
Also Known As: 3,5,6-Trimethylthio-as-triazin, 3,5,6-tris(methylsulfanyl)-1,2,4-triazine, 3,5,6-tris-methylsulfanyl-[1,2,4]triazine, 1,2,4-Triazine,3,5,6-tris(methylthio)-
| Molecular Formula | C6H9N3S3 |
|---|---|
| Molecular Weight | 219.00 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.99586 |
| Heavy Atoms | 12 |
| Complexity | 135.0 |
Chemical Identifiers
| CAS Number | 31697-27-5 |
|---|---|
| SMILES | CSC1=C(N=NC(=N1)SC)SC |
| InChIKey | TXAXULTUIXLGNB-UHFFFAOYSA-N |
Product Overview
3,5,6-Tris(methylsulfanyl)-1,2,4-triazine (CAS 31697-27-5), with molecular formula C6H9N3S3 and molecular weight 219.00 g/mol. IUPAC: 3,5,6-tris(methylsulfanyl)-1,2,4-triazine.
Chemical Property Profile of 3,5,6-Tris(methylsulfanyl)-1,2,4-triazine
Property Insights of 3,5,6-Tris(methylsulfanyl)-1,2,4-triazine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5,6-Tris(methylsulfanyl)-1,2,4-triazine. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5,6-Tris(methylsulfanyl)-1,2,4-triazine. Following Lipinski's Rule of Five, 3,5,6-Tris(methylsulfanyl)-1,2,4-triazine has 0 hydrogen bond donor(s) and 6 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 3,5,6-Tris(methylsulfanyl)-1,2,4-triazine?
The CAS number of 3,5,6-Tris(methylsulfanyl)-1,2,4-triazine is 31697-27-5.
What is the molecular formula of 3,5,6-Tris(methylsulfanyl)-1,2,4-triazine?
The molecular formula of 3,5,6-Tris(methylsulfanyl)-1,2,4-triazine is C6H9N3S3.
What is the molecular weight of 3,5,6-Tris(methylsulfanyl)-1,2,4-triazine?
The molecular weight of 3,5,6-Tris(methylsulfanyl)-1,2,4-triazine is 219.00 g/mol.
Where can I buy 3,5,6-Tris(methylsulfanyl)-1,2,4-triazine?
You can request a quote for 3,5,6-Tris(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 3,5,6-Tris(methylsulfanyl)-1,2,4-triazine?
Yes, KEHONG BIO provides custom synthesis services for 3,5,6-Tris(methylsulfanyl)-1,2,4-triazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.