8-((2-Aminoethyl)thio)-1,3,6,9-tetrahydro-1,3-dimethyl-6-thioxo-2H-purin-2-one
TL;DR: 8-((2-Aminoethyl)thio)-1,3,6,9-tetrahydro-1,3-dimethyl-6-thioxo-2H-purin-2-one (CAS 6559-88-2) is a chemical compound with molecular formula C9H13N5OS2 and molecular weight 271.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(2-aminoethylsulfanyl)-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
Also Known As: Theophylline, 8-(2-aminoethyl)thio-6-thio-, NCIOpen2_006510, 6-Thio-8-(2'-aminoethyl)thiotheophylline, Uric acid,3-dimethyl-6-thio-, Theophylline,8-(2-aminoethyl)thio-6-thio
| Molecular Formula | C9H13N5OS2 |
|---|---|
| Molecular Weight | 271.06 g/mol |
| LogP | 0.38039 |
| Topological Polar Surface Area | 81.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.05615 |
| Heavy Atoms | 17 |
| Complexity | 668.30164 |
Chemical Identifiers
| CAS Number | 6559-88-2 |
|---|---|
| SMILES | CN1C2=C(C(=S)N(C1=O)C)NC(=N2)SCCN |
Product Overview
8-((2-Aminoethyl)thio)-1,3,6,9-tetrahydro-1,3-dimethyl-6-thioxo-2H-purin-2-one (CAS 6559-88-2), with molecular formula C9H13N5OS2 and molecular weight 271.06 g/mol. IUPAC: 8-(2-aminoethylsulfanyl)-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one.
Chemical Property Profile of 8-((2-Aminoethyl)thio)-1,3,6,9-tetrahydro-1,3-dimethyl-6-thioxo-2H-purin-2-one
Property Insights of 8-((2-Aminoethyl)thio)-1,3,6,9-tetrahydro-1,3-dimethyl-6-thioxo-2H-purin-2-one
The XLogP value of 0.38039 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-((2-Aminoethyl)thio)-1,3,6,9-tetrahydro-1,3-dimethyl-6-thioxo-2H-purin-2-one. The TPSA of 81.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-((2-Aminoethyl)thio)-1,3,6,9-tetrahydro-1,3-dimethyl-6-thioxo-2H-purin-2-one. Following Lipinski's Rule of Five, 8-((2-Aminoethyl)thio)-1,3,6,9-tetrahydro-1,3-dimethyl-6-thioxo-2H-purin-2-one has 2 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 8-((2-Aminoethyl)thio)-1,3,6,9-tetrahydro-1,3-dimethyl-6-thioxo-2H-purin-2-one?
The CAS number of 8-((2-Aminoethyl)thio)-1,3,6,9-tetrahydro-1,3-dimethyl-6-thioxo-2H-purin-2-one is 6559-88-2.
What is the molecular formula of 8-((2-Aminoethyl)thio)-1,3,6,9-tetrahydro-1,3-dimethyl-6-thioxo-2H-purin-2-one?
The molecular formula of 8-((2-Aminoethyl)thio)-1,3,6,9-tetrahydro-1,3-dimethyl-6-thioxo-2H-purin-2-one is C9H13N5OS2.
What is the molecular weight of 8-((2-Aminoethyl)thio)-1,3,6,9-tetrahydro-1,3-dimethyl-6-thioxo-2H-purin-2-one?
The molecular weight of 8-((2-Aminoethyl)thio)-1,3,6,9-tetrahydro-1,3-dimethyl-6-thioxo-2H-purin-2-one is 271.06 g/mol.
Where can I buy 8-((2-Aminoethyl)thio)-1,3,6,9-tetrahydro-1,3-dimethyl-6-thioxo-2H-purin-2-one?
You can request a quote for 8-((2-Aminoethyl)thio)-1,3,6,9-tetrahydro-1,3-dimethyl-6-thioxo-2H-purin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-((2-Aminoethyl)thio)-1,3,6,9-tetrahydro-1,3-dimethyl-6-thioxo-2H-purin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 8-((2-Aminoethyl)thio)-1,3,6,9-tetrahydro-1,3-dimethyl-6-thioxo-2H-purin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.