1,3,6,7-Tetrahydro-6-thioxo-2H-purin-2-one oxime
TL;DR: 1,3,6,7-Tetrahydro-6-thioxo-2H-purin-2-one oxime (CAS 33799-08-5) is a chemical compound with molecular formula C5H5N5OS and molecular weight 183.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(hydroxyamino)-3,7-dihydropurine-6-thione
Also Known As: 2-(Hydroxyamino)-9H-purine-6-thiol, 1,3,6,7-Tetrahydro-6-thioxo-2H-purin-2-one oxime, 2-(hydroxyamino)-3H-purine-6(7H)-thione, 2-(hydroxyamino)-3,7-dihydropurine-6-thione, 2H-Purin-2-one, 1,3,6,7-tetrahydro-6-thioxo-, oxime
| Molecular Formula | C5H5N5OS |
|---|---|
| Molecular Weight | 183.02 g/mol |
| LogP | 0.81659 |
| Topological Polar Surface Area | 89.62 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 183.02148 |
| Heavy Atoms | 12 |
| Complexity | 460.05167 |
Chemical Identifiers
| CAS Number | 33799-08-5 |
|---|---|
| SMILES | C1=NC2=C(N1)C(=S)N=C(N2)NO |
Product Overview
1,3,6,7-Tetrahydro-6-thioxo-2H-purin-2-one oxime (CAS 33799-08-5), with molecular formula C5H5N5OS and molecular weight 183.02 g/mol. IUPAC: 2-(hydroxyamino)-3,7-dihydropurine-6-thione.
Chemical Property Profile of 1,3,6,7-Tetrahydro-6-thioxo-2H-purin-2-one oxime
Property Insights of 1,3,6,7-Tetrahydro-6-thioxo-2H-purin-2-one oxime
The XLogP value of 0.81659 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,6,7-Tetrahydro-6-thioxo-2H-purin-2-one oxime. The TPSA of 89.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,6,7-Tetrahydro-6-thioxo-2H-purin-2-one oxime. Following Lipinski's Rule of Five, 1,3,6,7-Tetrahydro-6-thioxo-2H-purin-2-one oxime has 4 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 1,3,6,7-Tetrahydro-6-thioxo-2H-purin-2-one oxime?
The CAS number of 1,3,6,7-Tetrahydro-6-thioxo-2H-purin-2-one oxime is 33799-08-5.
What is the molecular formula of 1,3,6,7-Tetrahydro-6-thioxo-2H-purin-2-one oxime?
The molecular formula of 1,3,6,7-Tetrahydro-6-thioxo-2H-purin-2-one oxime is C5H5N5OS.
What is the molecular weight of 1,3,6,7-Tetrahydro-6-thioxo-2H-purin-2-one oxime?
The molecular weight of 1,3,6,7-Tetrahydro-6-thioxo-2H-purin-2-one oxime is 183.02 g/mol.
Where can I buy 1,3,6,7-Tetrahydro-6-thioxo-2H-purin-2-one oxime?
You can request a quote for 1,3,6,7-Tetrahydro-6-thioxo-2H-purin-2-one oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,6,7-Tetrahydro-6-thioxo-2H-purin-2-one oxime?
Yes, KEHONG BIO provides custom synthesis services for 1,3,6,7-Tetrahydro-6-thioxo-2H-purin-2-one oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.