2-(7H-purin-6-ylsulfanyl)acetonitrile
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2-(7H-purin-6-ylsulfanyl)acetonitrile
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CAS No:
5443-91-4
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Formula:
C7H5N5S
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Chemical Name:
2-(7H-purin-6-ylsulfanyl)acetonitrile
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Synonyms:
6-Cyanomethyl MP;ACETONITRILE, (PURIN-6-YLTHIO)-;(Purine-6-yl-thio)acetonitrile;5443-91-4;NSC 19866;(Purin-6-ylthio)acetonitrile;6-(Cyanomethylthio)-9H-purine;BRN 0013487;AI3-50856;Acetonitrile, (1H-purin-6-ylthio)-;Purine, 6-cyanomethylthio;4-26-00-01989 (Beilstein Handbook Reference);DTXSID70202832;NSC19866;ZINC4353750;(9H-purin-6-ylsulfanyl)acetonitrile;NSC-19866;STL293654;AKOS011537964;AKOS024253339;2-((7H-Purin-6-yl)thio)acetonitrile;2-(9H-purin-6-ylsulfanyl)acetonitrile;MCULE-2135029228;Acetonitrile, 2-(9H-purin-6-ylthio)-;DS-009687
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CAS No:
2-(7H-purin-6-ylsulfanyl)acetonitrile Basic Attributes
191.22 g/mol
191.02656635 g/mol
19866
DTXSID70202832
Computed Properties
Molecular Weight:191.22
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:191.02656635
Monoisotopic Mass:191.02656635
Topological Polar Surface Area:104
Heavy Atom Count:13
Complexity:224
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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