(4-methyl-3-oxidoquinazolin-3-ium-2-yl)methyl thiocyanate
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(4-methyl-3-oxidoquinazolin-3-ium-2-yl)methyl thiocyanate
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CAS No:
6327-41-9
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Formula:
C11H9N3OS
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Chemical Name:
(4-methyl-3-oxidoquinazolin-3-ium-2-yl)methyl thiocyanate
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Synonyms:
6327-41-9;(4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl thiocyanate;NSC50853;NSC 50853;SCHEMBL10690643;DTXSID60212662;ZINC1682172;NSC-50853;DS-005437;4-methyl-2-(thiocyanatomethyl)-4H-quinazoline 3-oxide;(4-methyl-3-oxido-quinazolin-3-ium-2-yl)methyl thiocyanate
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CAS No:
(4-methyl-3-oxidoquinazolin-3-ium-2-yl)methyl thiocyanate Basic Attributes
231.28 g/mol
231.04663309 g/mol
50853
DTXSID60212662
Computed Properties
Molecular Weight:231.28
XLogP3:1.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:231.04663309
Monoisotopic Mass:231.04663309
Topological Polar Surface Area:87.4
Heavy Atom Count:16
Complexity:290
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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