2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl thiocyanate
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2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl thiocyanate
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CAS No:
3737-44-8
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Formula:
C10H11N5O2S
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Chemical Name:
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl thiocyanate
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Synonyms:
1,3-Dimethyl-7-(2-thiocyanato-aethyl)-3,7-dihydro-purin-2,6-dion; T(sub 52); 7-(2-Isothiocyanato-aethyl)-theophyllin; 1,3-dimethyl-7-(2-thiocyanato-ethyl)-3,7-dihydro-purine-2,6-dione; Thiocyanic acid,2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl ester; 2-(1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl thiocyanate;Expand
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CAS No:
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl thiocyanate Basic Attributes
265.29200
265.06334578 g/mol
DTXSID00190814
2933990090
Computed Properties
Molecular Weight:265.29
XLogP3:0.2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:265.06334578
Monoisotopic Mass:265.06334578
Topological Polar Surface Area:108
Heavy Atom Count:18
Complexity:420
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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