7H-purin-6-yl thiocyanate
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7H-purin-6-yl thiocyanate
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CAS No:
19447-73-5
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Formula:
C6H3N5S
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Chemical Name:
7H-purin-6-yl thiocyanate
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Synonyms:
19447-73-5;UNII-KXA182VHR5;KXA182VHR5;Thiocyanic acid, 1H-purin-6-yl ester (9CI);Thiocyanic acid, 1H-purin-6-yl ester;NSC 58385;7H-purin-6-yl thiocyanate;6-Thiocyanatopurine;Thiocyanic acid, 9H-purin-6-yl ester;6-Thiocyanato-9H-purine;SCHEMBL2888365;DTXSID70173078;NSC58385;NSC-58385
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CAS No:
7H-purin-6-yl thiocyanate Basic Attributes
177.19 g/mol
177.01091629 g/mol
KXA182VHR5
58385
DTXSID70173078
Computed Properties
Molecular Weight:177.19
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:177.01091629
Monoisotopic Mass:177.01091629
Topological Polar Surface Area:104
Heavy Atom Count:12
Complexity:211
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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