Thiocyanic acid, 2-amino-9H-purin-6-yl ester
TL;DR: Thiocyanic acid, 2-amino-9H-purin-6-yl ester (CAS 22309-30-4) is a chemical compound with molecular formula C6H4N6S and molecular weight 192.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-amino-7H-purin-6-yl) thiocyanate
Also Known As: 2-Amino-6-thiocyanatopurine, 2-amino-7h-purin-6-yl thiocyanate, 6-thiocyanato-7H-purin-2-amine, (2-amino-7H-purin-6-yl) thiocyanate, Thiocyanic acid, 2-amino-9H-purin-6-yl ester
| Molecular Formula | C6H4N6S |
|---|---|
| Molecular Weight | 192.02 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 192.02182 |
| Heavy Atoms | 13 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 22309-30-4 |
|---|---|
| SMILES | C1=NC2=C(N1)C(=NC(=N2)N)SC#N |
| InChIKey | RHEXKZZHHUNILP-UHFFFAOYSA-N |
Product Overview
Thiocyanic acid, 2-amino-9H-purin-6-yl ester (CAS 22309-30-4), with molecular formula C6H4N6S and molecular weight 192.02 g/mol. IUPAC: (2-amino-7H-purin-6-yl) thiocyanate.
Chemical Property Profile of Thiocyanic acid, 2-amino-9H-purin-6-yl ester
Property Insights of Thiocyanic acid, 2-amino-9H-purin-6-yl ester
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiocyanic acid, 2-amino-9H-purin-6-yl ester. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiocyanic acid, 2-amino-9H-purin-6-yl ester. Following Lipinski's Rule of Five, Thiocyanic acid, 2-amino-9H-purin-6-yl ester has 2 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 Thiocyanic acid, 2-amino-9H-purin-6-yl ester?
The CAS number of Thiocyanic acid, 2-amino-9H-purin-6-yl ester is 22309-30-4.
What is the molecular formula of Thiocyanic acid, 2-amino-9H-purin-6-yl ester?
The molecular formula of Thiocyanic acid, 2-amino-9H-purin-6-yl ester is C6H4N6S.
What is the molecular weight of Thiocyanic acid, 2-amino-9H-purin-6-yl ester?
The molecular weight of Thiocyanic acid, 2-amino-9H-purin-6-yl ester is 192.02 g/mol.
Where can I buy Thiocyanic acid, 2-amino-9H-purin-6-yl ester?
You can request a quote for Thiocyanic acid, 2-amino-9H-purin-6-yl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiocyanic acid, 2-amino-9H-purin-6-yl ester?
Yes, KEHONG BIO provides custom synthesis services for Thiocyanic acid, 2-amino-9H-purin-6-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.