Thiocyanic acid, 1H-purin-6-yl ester
TL;DR: Thiocyanic acid, 1H-purin-6-yl ester (CAS 19447-73-5) is a chemical compound with molecular formula C6H3N5S and molecular weight 177.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7H-purin-6-yl thiocyanate
Also Known As: 6-Thiocyanatopurine, Thiocyanic acid, 1H-purin-6-yl ester, 7H-purin-6-yl thiocyanate, 6-Thiocyanato-9H-purine, (1H-Purin-6-yl) thiocyanate
| Molecular Formula | C6H3N5S |
|---|---|
| Molecular Weight | 177.01 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.01091 |
| Heavy Atoms | 12 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 19447-73-5 |
|---|---|
| SMILES | C1=NC2=C(N1)C(=NC=N2)SC#N |
| InChIKey | GBTKKUANKIRQOM-UHFFFAOYSA-N |
Product Overview
Thiocyanic acid, 1H-purin-6-yl ester (CAS 19447-73-5), with molecular formula C6H3N5S and molecular weight 177.01 g/mol. IUPAC: 7H-purin-6-yl thiocyanate.
Chemical Property Profile of Thiocyanic acid, 1H-purin-6-yl ester
Property Insights of Thiocyanic acid, 1H-purin-6-yl ester
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiocyanic acid, 1H-purin-6-yl ester. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiocyanic acid, 1H-purin-6-yl ester. Following Lipinski's Rule of Five, Thiocyanic acid, 1H-purin-6-yl ester has 1 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 Thiocyanic acid, 1H-purin-6-yl ester?
The CAS number of Thiocyanic acid, 1H-purin-6-yl ester is 19447-73-5.
What is the molecular formula of Thiocyanic acid, 1H-purin-6-yl ester?
The molecular formula of Thiocyanic acid, 1H-purin-6-yl ester is C6H3N5S.
What is the molecular weight of Thiocyanic acid, 1H-purin-6-yl ester?
The molecular weight of Thiocyanic acid, 1H-purin-6-yl ester is 177.01 g/mol.
Where can I buy Thiocyanic acid, 1H-purin-6-yl ester?
You can request a quote for Thiocyanic acid, 1H-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, 1H-purin-6-yl ester?
Yes, KEHONG BIO provides custom synthesis services for Thiocyanic acid, 1H-purin-6-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.