3,7-dimethyl-8-sulfanylidene-9H-purine-2,6-dione
TL;DR: 3,7-dimethyl-8-sulfanylidene-9H-purine-2,6-dione (CAS 6703-92-0) is a chemical compound with molecular formula C7H8N4O2S and molecular weight 212.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethyl-8-sulfanylidene-9H-purine-2,6-dione
Also Known As: 3,7-dimethyl-8-sulfanylidene-9H-purine-2,6-dione, BAS 00162656, 8-mercapto-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione, AB00667623-01, 3,7-dimethyl-8-sulfanylidene-2,3,6,7,8,9-hexahydro-1H-purine-2,6-dione
| Molecular Formula | C7H8N4O2S |
|---|---|
| Molecular Weight | 212.04 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 96.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 212.0368 |
| Heavy Atoms | 14 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 6703-92-0 |
|---|---|
| SMILES | CN1C2=C(NC1=S)N(C(=O)NC2=O)C |
| InChIKey | JWEXWGAGIUCEOB-UHFFFAOYSA-N |
Product Overview
3,7-dimethyl-8-sulfanylidene-9H-purine-2,6-dione (CAS 6703-92-0), with molecular formula C7H8N4O2S and molecular weight 212.04 g/mol. IUPAC: 3,7-dimethyl-8-sulfanylidene-9H-purine-2,6-dione.
Chemical Property Profile of 3,7-dimethyl-8-sulfanylidene-9H-purine-2,6-dione
Property Insights of 3,7-dimethyl-8-sulfanylidene-9H-purine-2,6-dione
The XLogP value of -0.7 indicates that 3,7-dimethyl-8-sulfanylidene-9H-purine-2,6-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 96.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,7-dimethyl-8-sulfanylidene-9H-purine-2,6-dione. Following Lipinski's Rule of Five, 3,7-dimethyl-8-sulfanylidene-9H-purine-2,6-dione has 2 hydrogen bond donor(s) and 3 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 3,7-dimethyl-8-sulfanylidene-9H-purine-2,6-dione?
The CAS number of 3,7-dimethyl-8-sulfanylidene-9H-purine-2,6-dione is 6703-92-0.
What is the molecular formula of 3,7-dimethyl-8-sulfanylidene-9H-purine-2,6-dione?
The molecular formula of 3,7-dimethyl-8-sulfanylidene-9H-purine-2,6-dione is C7H8N4O2S.
What is the molecular weight of 3,7-dimethyl-8-sulfanylidene-9H-purine-2,6-dione?
The molecular weight of 3,7-dimethyl-8-sulfanylidene-9H-purine-2,6-dione is 212.04 g/mol.
Where can I buy 3,7-dimethyl-8-sulfanylidene-9H-purine-2,6-dione?
You can request a quote for 3,7-dimethyl-8-sulfanylidene-9H-purine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-dimethyl-8-sulfanylidene-9H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3,7-dimethyl-8-sulfanylidene-9H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.