6-(2-Propyn-1-ylthio)-9H-purine
TL;DR: 6-(2-Propyn-1-ylthio)-9H-purine (CAS 79515-86-9) is a chemical compound with molecular formula C8H6N4S and molecular weight 190.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-prop-2-ynylsulfanyl-7H-purine
Also Known As: 6-(2-Propynylthio)purine, 1H-Purine, 6-(2-propynylthio)-, Purine, 6-(2-propynylthio)-, 6-prop-2-ynylsulfanyl-7H-purine, 6-prop-2-ynylthiopurine
| Molecular Formula | C8H6N4S |
|---|---|
| Molecular Weight | 190.03 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 190.03131 |
| Heavy Atoms | 13 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 79515-86-9 |
|---|---|
| SMILES | C#CCSC1=NC=NC2=C1NC=N2 |
| InChIKey | XUTFGQCVGBZCJL-UHFFFAOYSA-N |
Product Overview
6-(2-Propyn-1-ylthio)-9H-purine (CAS 79515-86-9), with molecular formula C8H6N4S and molecular weight 190.03 g/mol. IUPAC: 6-prop-2-ynylsulfanyl-7H-purine.
Chemical Property Profile of 6-(2-Propyn-1-ylthio)-9H-purine
Property Insights of 6-(2-Propyn-1-ylthio)-9H-purine
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(2-Propyn-1-ylthio)-9H-purine. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(2-Propyn-1-ylthio)-9H-purine. Following Lipinski's Rule of Five, 6-(2-Propyn-1-ylthio)-9H-purine 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 6-(2-Propyn-1-ylthio)-9H-purine?
The CAS number of 6-(2-Propyn-1-ylthio)-9H-purine is 79515-86-9.
What is the molecular formula of 6-(2-Propyn-1-ylthio)-9H-purine?
The molecular formula of 6-(2-Propyn-1-ylthio)-9H-purine is C8H6N4S.
What is the molecular weight of 6-(2-Propyn-1-ylthio)-9H-purine?
The molecular weight of 6-(2-Propyn-1-ylthio)-9H-purine is 190.03 g/mol.
Where can I buy 6-(2-Propyn-1-ylthio)-9H-purine?
You can request a quote for 6-(2-Propyn-1-ylthio)-9H-purine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(2-Propyn-1-ylthio)-9H-purine?
Yes, KEHONG BIO provides custom synthesis services for 6-(2-Propyn-1-ylthio)-9H-purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.