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2,3-Bis(2-hydroxyethylthio)-1,4-naphthalenedione

2,3-Bis(2-hydroxyethylthio)-1,4-naphthalenedione structure

CAS No:
93718-83-3
Formula:
C14H14O4S2
Chemical Name:
2,3-Bis(2-hydroxyethylthio)-1,4-naphthalenedione
Synonyms:
1,4-Naphthalenedione,2,3-bis[(2-hydroxyethyl)thio]-;1,4-Naphthoquinone,2,3-bis[(2-hydroxyethyl)thio]-;2,3-Bis[(2-hydroxyethyl)thio]-1,4-naphthalenedione;NSC 95397;2,3-Bis(2-hydroxyethylthio)-1,4-naphthalenedione;2,3-Bis(2-hydroxyethylsulfanyl)naphthalene-1,4-dione

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Description

2,3-bis(2-hydroxyethylthio)naphthalene-1,4-dione is a member of 1,4-naphthoquinones.

2,3-Bis(2-hydroxyethylthio)-1,4-naphthalenedione Basic Attributes

Molecular Weight：

310.38900

Exact Mass：

310.39

NSC Number：

95397

DSSTox ID：

DTXSID10294236

HScode：

2930909090

Characteristics

PSA：

125.20000

XLogP3：

1.72820

Density：

1.46g/cm3

Melting Point：

117-119 °C @ Solvent: Methanol

Boiling Point：

499.2ºC

Flash Point：

255.7ºC

Drug Information

MeSH Entry Terms：

2,3-bis(2-hydroxyethylsulfanyl)-(1,4)naphthoquinone

Computed Properties

Molecular Weight:310.4
XLogP3:1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:310.03335127
Monoisotopic Mass:310.03335127
Topological Polar Surface Area:125
Heavy Atom Count:20
Complexity:381
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,3-Bis(2-hydroxyethylthio)-1,4-naphthalenedione

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties

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