7-amino-2-methyl-6-methylsulfanylisoquinoline-3,5,8-trione
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7-amino-2-methyl-6-methylsulfanylisoquinoline-3,5,8-trione
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CAS No:
129722-94-7
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Formula:
C11H10N2O3S
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Chemical Name:
7-amino-2-methyl-6-methylsulfanylisoquinoline-3,5,8-trione
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Synonyms:
perfragilin A;Perfragilin A;129722-94-7;ACMC-20cjxz;3,5,8(2H)-Isoquinolinetrione, 7-amino-2-methyl-6-(methylthio)-;DTXSID30156226;3,5,8(2H)-Isoquinolinetrione,7-amino-2-methyl-6-(methylthio)-;2-Methyl-6-(methylthio)-7-amino-3,5,8(2H)-isoquinolinetrione;7-Amino-2-methyl-6-(methylthio)isoquinoline-3,5,8(2H)-trione
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CAS No:
7-amino-2-methyl-6-methylsulfanylisoquinoline-3,5,8-trione Basic Attributes
250.28 g/mol
250.04121336 g/mol
DTXSID30156226
Computed Properties
Molecular Weight:250.28
XLogP3:-0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:250.04121336
Monoisotopic Mass:250.04121336
Topological Polar Surface Area:106
Heavy Atom Count:17
Complexity:543
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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