N-{[(7H-Purin-6-yl)sulfanyl]methyl}benzamide

Base Information

• Chemical Name: N-{[(7H-Purin-6-yl)sulfanyl]methyl}benzamide
• CAS No.: 80693-21-6
• Molecular Formula: C13H11N5OS
• DSSTox Substance ID: DTXSID10536507
• Wikidata: Q82411198
• Mol file: 80693-21-6.mol

Synonyms:80693-21-6;N-(((1H-Purin-6-yl)thio)methyl)benzamide;N-{[(7H-Purin-6-yl)sulfanyl]methyl}benzamide;6-(Benzamidomethylthio)purine;SCHEMBL10923674;DTXSID10536507;LUAQVBIWUIAIRI-UHFFFAOYSA-N;6-(benzoylaminomethylthio)-9h-purine

Chemical Property of N-{[(7H-Purin-6-yl)sulfanyl]methyl}benzamide

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 285.06843116
• Heavy Atom Count: 20
• Complexity: 337

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)NCSC2=NC=NC3=C2NC=N3