7H-purine-6-carbothioamide
TL;DR: 7H-purine-6-carbothioamide (CAS 40769-67-3) is a chemical compound with molecular formula C6H5N5S and molecular weight 179.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7H-purine-6-carbothioamide
Also Known As: 7H-purine-6-carbothioamide, 9H-Purine-6-carbothioamide, 6-Purinthiocarboxamide, 9H-Purine-6-carbothioamide #, 7(9)H-purine-6-thiocarbamide
| Molecular Formula | C6H5N5S |
|---|---|
| Molecular Weight | 179.03 g/mol |
| LogP | -0.0129 |
| Topological Polar Surface Area | 80.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.02657 |
| Heavy Atoms | 12 |
| Complexity | 434.186 |
Chemical Identifiers
| CAS Number | 40769-67-3 |
|---|---|
| SMILES | C1=NC2=NC=NC(=C2N1)C(=S)N |
Product Overview
7H-purine-6-carbothioamide (CAS 40769-67-3), with molecular formula C6H5N5S and molecular weight 179.03 g/mol. IUPAC: 7H-purine-6-carbothioamide.
Chemical Property Profile of 7H-purine-6-carbothioamide
Property Insights of 7H-purine-6-carbothioamide
The XLogP value of -0.0129 indicates that 7H-purine-6-carbothioamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 7H-purine-6-carbothioamide. Following Lipinski's Rule of Five, 7H-purine-6-carbothioamide has 2 hydrogen bond donor(s) and 4 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-purine-6-carbothioamide?
The CAS number of 7H-purine-6-carbothioamide is 40769-67-3.
What is the molecular formula of 7H-purine-6-carbothioamide?
The molecular formula of 7H-purine-6-carbothioamide is C6H5N5S.
What is the molecular weight of 7H-purine-6-carbothioamide?
The molecular weight of 7H-purine-6-carbothioamide is 179.03 g/mol.
Where can I buy 7H-purine-6-carbothioamide?
You can request a quote for 7H-purine-6-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7H-purine-6-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 7H-purine-6-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.