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2,3-bis(benzylsulfanyl)-5-tert-butylcyclohexa-2,5-diene-1,4-dione

2,3-bis(benzylsulfanyl)-5-tert-butylcyclohexa-2,5-diene-1,4-dione structure

CAS No:
135432-47-2
Formula:
C24H24O2S2
Chemical Name:
2,3-bis(benzylsulfanyl)-5-tert-butylcyclohexa-2,5-diene-1,4-dione
Synonyms:
2,5-Cyclohexadiene-1,4-dione,5-(1,1-dimethylethyl)-2,3-bis[(phenylmethyl)thio]; Bqsbn-2; 2,3-Dibenzylthio-6-tert-butyl-4-benzoquinone;

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2,3-bis(benzylsulfanyl)-5-tert-butylcyclohexa-2,5-diene-1,4-dione Basic Attributes

Molecular Weight：

408.57600

Exact Mass：

408.12177235 g/mol

DSSTox ID：

DTXSID60159346

Characteristics

PSA：

84.74000

XLogP3：

6.18910

Density：

1.21g/cm3

Boiling Point：

529.7ºC

Flash Point：

214.7ºC

Refractive Index：

1.637

Vapor Pressure：

2.64E-11mmHg at 25°C

Drug Information

MeSH Entry Terms：

2,3-dibenzylthio-6-tert-butyl-4-benzoquinone

Computed Properties

Molecular Weight:408.6
XLogP3:6.1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:408.12177235
Monoisotopic Mass:408.12177235
Topological Polar Surface Area:84.7
Heavy Atom Count:28
Complexity:642
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,3-bis(benzylsulfanyl)-5-tert-butylcyclohexa-2,5-diene-1,4-dione

Basic Attributes
Characteristics
Drug Information
Computed Properties

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