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2-(butylthio)naphthalene-1,4-dione

2-(butylthio)naphthalene-1,4-dione structure

CAS No:
59094-49-4
Formula:
C14H14O2S
Chemical Name:
2-(butylthio)naphthalene-1,4-dione
Synonyms:
2-(butylthio)naphthalene-1,4-dione;1,4-Naphthoquinone, 2-(butylthio)-;2-(butylsulfanyl)naphthalene-1,4-dione;1,4-Naphthalenedione, 2-(butylthio)-;CHEMBL2335533;2-(butylthio)-1,4-naphthoquinone;2-butylsulfanylnaphthalene-1,4-dione;NSC149109;1, 2-(butylthio)-;ACMC-20d07i

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2-(butylthio)naphthalene-1,4-dione Basic Attributes

Molecular Weight：

246.32476

Exact Mass：

246.07100

NSC Number：

149109

DSSTox ID：

DTXSID70302169

Characteristics

PSA：

59.4

XLogP3：

3.48280

Density：

1.21g/cm3

Boiling Point：

384.9ºC at 760 mmHg

Flash Point：

165.8ºC

Refractive Index：

1.6

Computed Properties

Molecular Weight:246.33
XLogP3:3.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:246.07145086
Monoisotopic Mass:246.07145086
Topological Polar Surface Area:59.4
Heavy Atom Count:17
Complexity:346
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(butylthio)naphthalene-1,4-dione

Basic Attributes
Characteristics
Computed Properties

2-(butylthio)naphthalene-1,4-dione

SDS

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