(4,6-Diamino-1,3,5-triazin-2-yl) thiocyanate
TL;DR: (4,6-Diamino-1,3,5-triazin-2-yl) thiocyanate (CAS 30360-93-1) is a chemical compound with molecular formula C4H4N6S and molecular weight 168.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,6-diamino-1,3,5-triazin-2-yl) thiocyanate
Also Known As: (4,6-diamino-1,3,5-triazin-2-yl) thiocyanate, J1.613.469D, 1,3,5-Triazine, 2,4-diamino-6-thiocyanato-, 4,6-diamino-1,3,5-triazin-2-yl thiocyanate, Thiocyanic acid 4,6-diamino-s-triazine-2-yl ester
| Molecular Formula | C4H4N6S |
|---|---|
| Molecular Weight | 168.02 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.02182 |
| Heavy Atoms | 11 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 30360-93-1 |
|---|---|
| SMILES | C(#N)SC1=NC(=NC(=N1)N)N |
| InChIKey | WDZSJMZWQIZNHH-UHFFFAOYSA-N |
Product Overview
(4,6-Diamino-1,3,5-triazin-2-yl) thiocyanate (CAS 30360-93-1), with molecular formula C4H4N6S and molecular weight 168.02 g/mol. IUPAC: (4,6-diamino-1,3,5-triazin-2-yl) thiocyanate.
Chemical Property Profile of (4,6-Diamino-1,3,5-triazin-2-yl) thiocyanate
Property Insights of (4,6-Diamino-1,3,5-triazin-2-yl) thiocyanate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4,6-Diamino-1,3,5-triazin-2-yl) thiocyanate. The TPSA of 140.0 Ų indicates high polarity, suggesting (4,6-Diamino-1,3,5-triazin-2-yl) thiocyanate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (4,6-Diamino-1,3,5-triazin-2-yl) thiocyanate has 2 hydrogen bond donor(s) and 7 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-Diamino-1,3,5-triazin-2-yl) thiocyanate?
The CAS number of (4,6-Diamino-1,3,5-triazin-2-yl) thiocyanate is 30360-93-1.
What is the molecular formula of (4,6-Diamino-1,3,5-triazin-2-yl) thiocyanate?
The molecular formula of (4,6-Diamino-1,3,5-triazin-2-yl) thiocyanate is C4H4N6S.
What is the molecular weight of (4,6-Diamino-1,3,5-triazin-2-yl) thiocyanate?
The molecular weight of (4,6-Diamino-1,3,5-triazin-2-yl) thiocyanate is 168.02 g/mol.
Where can I buy (4,6-Diamino-1,3,5-triazin-2-yl) thiocyanate?
You can request a quote for (4,6-Diamino-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-Diamino-1,3,5-triazin-2-yl) thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for (4,6-Diamino-1,3,5-triazin-2-yl) thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.