(4,6-Dithiocyanato-1,3,5-triazin-2-yl) thiocyanate
TL;DR: (4,6-Dithiocyanato-1,3,5-triazin-2-yl) thiocyanate (CAS 30863-24-2) is a chemical compound with molecular formula C6N6S3 and molecular weight 251.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,6-dithiocyanato-1,3,5-triazin-2-yl) thiocyanate
Also Known As: 2,4,6-Trithiocyanato-1,3,5-triazine, (4,6-dithiocyanato-1,3,5-triazin-2-yl) thiocyanate, S-TRIAZINE-2,4,6-TRIYL THIOCYANATE, J1.615.180G, 1,3,5-triazine-2,4,6-triyl tris(thiocyanate)
| Molecular Formula | C6N6S3 |
|---|---|
| Molecular Weight | 251.93 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 186.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.93466 |
| Heavy Atoms | 15 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 30863-24-2 |
|---|---|
| SMILES | C(#N)SC1=NC(=NC(=N1)SC#N)SC#N |
| InChIKey | CWQIIEXLSSXVJL-UHFFFAOYSA-N |
Product Overview
(4,6-Dithiocyanato-1,3,5-triazin-2-yl) thiocyanate (CAS 30863-24-2), with molecular formula C6N6S3 and molecular weight 251.93 g/mol. IUPAC: (4,6-dithiocyanato-1,3,5-triazin-2-yl) thiocyanate.
Chemical Property Profile of (4,6-Dithiocyanato-1,3,5-triazin-2-yl) thiocyanate
Property Insights of (4,6-Dithiocyanato-1,3,5-triazin-2-yl) thiocyanate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4,6-Dithiocyanato-1,3,5-triazin-2-yl) thiocyanate. The TPSA of 186.0 Ų indicates high polarity, suggesting (4,6-Dithiocyanato-1,3,5-triazin-2-yl) thiocyanate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (4,6-Dithiocyanato-1,3,5-triazin-2-yl) thiocyanate has 0 hydrogen bond donor(s) and 9 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 (4,6-Dithiocyanato-1,3,5-triazin-2-yl) thiocyanate?
The CAS number of (4,6-Dithiocyanato-1,3,5-triazin-2-yl) thiocyanate is 30863-24-2.
What is the molecular formula of (4,6-Dithiocyanato-1,3,5-triazin-2-yl) thiocyanate?
The molecular formula of (4,6-Dithiocyanato-1,3,5-triazin-2-yl) thiocyanate is C6N6S3.
What is the molecular weight of (4,6-Dithiocyanato-1,3,5-triazin-2-yl) thiocyanate?
The molecular weight of (4,6-Dithiocyanato-1,3,5-triazin-2-yl) thiocyanate is 251.93 g/mol.
Where can I buy (4,6-Dithiocyanato-1,3,5-triazin-2-yl) thiocyanate?
You can request a quote for (4,6-Dithiocyanato-1,3,5-triazin-2-yl) thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4,6-Dithiocyanato-1,3,5-triazin-2-yl) thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for (4,6-Dithiocyanato-1,3,5-triazin-2-yl) thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.