6-[(2-chlorophenyl)methylsulfanyl]-7H-purine
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![6-[(2-chlorophenyl)methylsulfanyl]-7H-purine structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/8195935d19f2497dab81c1e32b98ca6d.png "6-[(2-chlorophenyl)methylsulfanyl]-7H-purine")
6-[(2-chlorophenyl)methylsulfanyl]-7H-purine
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CAS No:
5069-68-1
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Formula:
C12H9ClN4S
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Chemical Name:
6-[(2-chlorophenyl)methylsulfanyl]-7H-purine
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Synonyms:
Purine, 6-((o-chlorobenzyl)thio)-;5069-68-1;Purine, 6-[(o-chlorobenzyl)thio]-;NSC 15748;6-((p-Chlorobenzyl)thio)purine;AI3-50233;6-[(2-chlorophenyl)methylsulfanyl]-7H-purine;CBMicro_034435;1H-Purine, 6-(((2-chlorophenyl)methyl)thio)-;Oprea1_002026;Oprea1_247358;PU03;CHEMBL4083753;SCHEMBL21639732;BDBM92416;DTXSID20198731;Purine, 6-(o-chlorobenzyl thio)-;NSC15748;ZINC6953922;NSC-15748;STK361614;6-[(2-chlorophenyl)methylthio]purine;6-[(2-chlorobenzyl)thio]-7H-purine;AKOS002285230;AKOS003931361;CCG-110901;MCULE-4688779570;6-[(2-chlorobenzyl)sulfanyl]-7H-purine;BIM-0034464.P001;EU-0043913;ST50807824;9H-Purine, 6-[[(2-chlorophenyl)methyl]thio]-;SR-01000484177;SR-01000484177-1
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CAS No:
6-[(2-chlorophenyl)methylsulfanyl]-7H-purine Basic Attributes
276.75 g/mol
276.0236452 g/mol
15748
DTXSID20198731
Computed Properties
Molecular Weight:276.75
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:276.0236452
Monoisotopic Mass:276.0236452
Topological Polar Surface Area:79.8
Heavy Atom Count:18
Complexity:281
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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