7H-purin-6-ylmethyl thiocyanate
TL;DR: 7H-purin-6-ylmethyl thiocyanate (CAS 3389-33-1) is a chemical compound with molecular formula C7H5N5S and molecular weight 191.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7H-purin-6-ylmethyl thiocyanate
Also Known As: 7H-purin-6-ylmethyl thiocyanate, 6-(thiocyanatomethyl)-7H-purine, 6-(thiocyanatomethyl)-5H-purine, (7H-Purin-6-yl)methyl thiocyanate, Thiocyanic acid, 9H-purin-6-ylmethyl ester
| Molecular Formula | C7H5N5S |
|---|---|
| Molecular Weight | 191.03 g/mol |
| LogP | 1.06718 |
| Topological Polar Surface Area | 78.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.02657 |
| Heavy Atoms | 13 |
| Complexity | 457.096 |
Chemical Identifiers
| CAS Number | 3389-33-1 |
|---|---|
| SMILES | C1=NC2=NC=NC(=C2N1)CSC#N |
Product Overview
7H-purin-6-ylmethyl thiocyanate (CAS 3389-33-1), with molecular formula C7H5N5S and molecular weight 191.03 g/mol. IUPAC: 7H-purin-6-ylmethyl thiocyanate.
Chemical Property Profile of 7H-purin-6-ylmethyl thiocyanate
Property Insights of 7H-purin-6-ylmethyl thiocyanate
The XLogP value of 1.06718 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7H-purin-6-ylmethyl thiocyanate. The TPSA of 78.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 7H-purin-6-ylmethyl thiocyanate. Following Lipinski's Rule of Five, 7H-purin-6-ylmethyl thiocyanate 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 7H-purin-6-ylmethyl thiocyanate?
The CAS number of 7H-purin-6-ylmethyl thiocyanate is 3389-33-1.
What is the molecular formula of 7H-purin-6-ylmethyl thiocyanate?
The molecular formula of 7H-purin-6-ylmethyl thiocyanate is C7H5N5S.
What is the molecular weight of 7H-purin-6-ylmethyl thiocyanate?
The molecular weight of 7H-purin-6-ylmethyl thiocyanate is 191.03 g/mol.
Where can I buy 7H-purin-6-ylmethyl thiocyanate?
You can request a quote for 7H-purin-6-ylmethyl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7H-purin-6-ylmethyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 7H-purin-6-ylmethyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.