8-(Ethylthio)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dithione
TL;DR: 8-(Ethylthio)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dithione (CAS 6508-29-8) is a chemical compound with molecular formula C9H12N4S3 and molecular weight 272.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-ethylsulfanyl-1,3-dimethyl-7H-purine-2,6-dithione
Also Known As: NCIOpen2_006098, 8-(Ethylthio)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dithione, THEOPHYLLINE, 8-(ETHYLTHIO)DITHIO-, 8-ethylsulfanyl-1,3-dimethyl-7H-purine-2,6-dithione, 8-ethylsulfanyl-1,3-dimethyl-9H-purine-2,6-dithione
| Molecular Formula | C9H12N4S3 |
|---|---|
| Molecular Weight | 272.02 g/mol |
| LogP | 2.81088 |
| Topological Polar Surface Area | 38.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.0224 |
| Heavy Atoms | 16 |
| Complexity | 649.04346 |
Chemical Identifiers
| CAS Number | 6508-29-8 |
|---|---|
| SMILES | CCSC1=NC2=C(N1)C(=S)N(C(=S)N2C)C |
Product Overview
8-(Ethylthio)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dithione (CAS 6508-29-8), with molecular formula C9H12N4S3 and molecular weight 272.02 g/mol. IUPAC: 8-ethylsulfanyl-1,3-dimethyl-7H-purine-2,6-dithione.
Chemical Property Profile of 8-(Ethylthio)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dithione
Property Insights of 8-(Ethylthio)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dithione
The XLogP value of 2.81088 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(Ethylthio)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dithione. With a topological polar surface area (TPSA) of 38.54 Ų, 8-(Ethylthio)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dithione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-(Ethylthio)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dithione has 1 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 8-(Ethylthio)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dithione?
The CAS number of 8-(Ethylthio)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dithione is 6508-29-8.
What is the molecular formula of 8-(Ethylthio)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dithione?
The molecular formula of 8-(Ethylthio)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dithione is C9H12N4S3.
What is the molecular weight of 8-(Ethylthio)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dithione?
The molecular weight of 8-(Ethylthio)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dithione is 272.02 g/mol.
Where can I buy 8-(Ethylthio)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dithione?
You can request a quote for 8-(Ethylthio)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dithione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(Ethylthio)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dithione?
Yes, KEHONG BIO provides custom synthesis services for 8-(Ethylthio)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dithione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.