2-[2-[6-[(2-Chlorophenyl)methylsulfanyl]purin-9-yl]ethyl-(2-hydroxyethyl)amino]ethanol

Base Information

• Chemical Name: 2-[2-[6-[(2-Chlorophenyl)methylsulfanyl]purin-9-yl]ethyl-(2-hydroxyethyl)amino]ethanol
• CAS No.: 3048-87-1
• Molecular Formula: C18H22 Cl N5 O2 S
• Molecular Weight: 407.9176
• NSC Number: 65006
• DSSTox Substance ID: DTXSID50289863
• Wikidata: Q82027371
• Mol file: 3048-87-1.mol

Synonyms:3048-87-1;2,2'-((2-(6-((2-Chlorobenzyl)thio)-9H-purin-9-yl)ethyl)azanediyl)diethanol;NSC65006;2-[2-[6-[(2-chlorophenyl)methylsulfanyl]purin-9-yl]ethyl-(2-hydroxyethyl)amino]ethanol;DTXSID50289863;NSC-65006;2-[2-[6-[(2-chlorophenyl)methylthio]-9-purinyl]ethyl-(2-hydroxyethyl)amino]ethanol

Chemical Property of 2-[2-[6-[(2-Chlorophenyl)methylsulfanyl]purin-9-yl]ethyl-(2-hydroxyethyl)amino]ethanol

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 10
• Exact Mass: 407.1182738
• Heavy Atom Count: 27
• Complexity: 433

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CSC2=NC=NC3=C2N=CN3CCN(CCO)CCO)Cl

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