6-((Phenylmethyl)thio)-9H-purine
TL;DR: 6-((Phenylmethyl)thio)-9H-purine (CAS 724-34-5) is a chemical compound with molecular formula C12H10N4S and molecular weight 242.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzylsulfanyl-7H-purine
Also Known As: Purine, 6-(benzylthio)-, 6-Benzothiopurine, 6-(Benzylthio)purine, 6-Benzyl MP, 6-Benzylmercaptopurine
| Molecular Formula | C12H10N4S |
|---|---|
| Molecular Weight | 242.06 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.06262 |
| Heavy Atoms | 17 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 724-34-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NC=NC3=C2NC=N3 |
| InChIKey | ULIQGBPQLPCTAJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-((Phenylmethyl)thio)-9H-purine (CAS 724-34-5), with molecular formula C12H10N4S and molecular weight 242.06 g/mol. IUPAC: 6-benzylsulfanyl-7H-purine.
Chemical Property Profile of 6-((Phenylmethyl)thio)-9H-purine
Property Insights of 6-((Phenylmethyl)thio)-9H-purine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-((Phenylmethyl)thio)-9H-purine. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-((Phenylmethyl)thio)-9H-purine. Following Lipinski's Rule of Five, 6-((Phenylmethyl)thio)-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-((Phenylmethyl)thio)-9H-purine?
The CAS number of 6-((Phenylmethyl)thio)-9H-purine is 724-34-5.
What is the molecular formula of 6-((Phenylmethyl)thio)-9H-purine?
The molecular formula of 6-((Phenylmethyl)thio)-9H-purine is C12H10N4S.
What is the molecular weight of 6-((Phenylmethyl)thio)-9H-purine?
The molecular weight of 6-((Phenylmethyl)thio)-9H-purine is 242.06 g/mol.
Where can I buy 6-((Phenylmethyl)thio)-9H-purine?
You can request a quote for 6-((Phenylmethyl)thio)-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-((Phenylmethyl)thio)-9H-purine?
Yes, KEHONG BIO provides custom synthesis services for 6-((Phenylmethyl)thio)-9H-purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.