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2-methyl-6,7-bis(methylsulfanyl)isoquinoline-3,5,8-trione

2-methyl-6,7-bis(methylsulfanyl)isoquinoline-3,5,8-trione structure

CAS No:
146764-79-6
Formula:
C12H11NO3S2
Chemical Name:
2-methyl-6,7-bis(methylsulfanyl)isoquinoline-3,5,8-trione
Synonyms:
perfragilin B;Perfragilin B;146764-79-6;NSC667275;2-methyl-6,7-bis(methylsulfanyl)isoquinoline-3,5,8-trione;2-Methyl-6,7-bis(methylthio)-3,5,8(2H)-isoquinolinetrione;CHEMBL2002050;DTXSID50932908;NSC-667275;NCI60_023421;2-Methyl-5,8-dioxo-6,7-bis(methylthio)isoquinoline-3(2H)-one;3,5,8(2H)-Isoquinolinetrione, 2-methyl-6,7-bis(methylthio)-;2-Methyl-6,7-bis(methylsulfanyl)isoquinoline-3,5,8(2H)-trione

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2-methyl-6,7-bis(methylsulfanyl)isoquinoline-3,5,8-trione Basic Attributes

Molecular Weight：

281.4 g/mol

Exact Mass：

281.01803556 g/mol

NSC Number：

667275

Characteristics

PSA：

105 Å²

Drug Information

MeSH Entry Terms：

perfragilin B

Computed Properties

Molecular Weight:281.4
XLogP3:0.8
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:281.01803556
Monoisotopic Mass:281.01803556
Topological Polar Surface Area:105
Heavy Atom Count:18
Complexity:558
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-methyl-6,7-bis(methylsulfanyl)isoquinoline-3,5,8-trione

Basic Attributes
Characteristics
Drug Information
Computed Properties

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