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2-benzylsulfanyl-3-methylnaphthalene-1,4-dione

2-benzylsulfanyl-3-methylnaphthalene-1,4-dione structure

CAS No:
2593-59-1
Formula:
C18H14O2S
Chemical Name:
2-benzylsulfanyl-3-methylnaphthalene-1,4-dione
Synonyms:
MLS002693576;2593-59-1;2-benzylsulfanyl-3-methylnaphthalene-1,4-dione;NSC66457;2-(benzylsulfanyl)-3-methylnaphthoquinone;SCHEMBL2599207;CHEMBL1732365;DTXSID50290090;HMS3085P18;ZINC344109;NSC-66457;MCULE-5118695053;NCI60_022262;SMR001559524;2-Methyl-3-(benzylthio)-1,4-naphthoquinone;AE-406/41056674

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2-benzylsulfanyl-3-methylnaphthalene-1,4-dione Basic Attributes

Molecular Weight：

294.4 g/mol

Exact Mass：

294.07145086 g/mol

NSC Number：

66457

DSSTox ID：

DTXSID50290090

Characteristics

PSA：

59.4 Å²

Computed Properties

Molecular Weight:294.4
XLogP3:4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:294.07145086
Monoisotopic Mass:294.07145086
Topological Polar Surface Area:59.4
Heavy Atom Count:21
Complexity:460
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-benzylsulfanyl-3-methylnaphthalene-1,4-dione

Basic Attributes
Characteristics
Computed Properties

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