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Key Documents

T27405

Sigma-Aldrich

Thianaphthene

95%

Synonym(s):

Benzo[b]thiophene, Benzothiophene, Thionaphthene

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About This Item

Empirical Formula (Hill Notation):
C8H6S
CAS Number:
Molecular Weight:
134.20
Beilstein:
80580
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

Assay

95%

bp

221-222 °C (lit.)

mp

30-33 °C (lit.)

density

1.149 g/mL at 25 °C (lit.)

SMILES string

c1ccc2sccc2c1

InChI

1S/C8H6S/c1-2-4-8-7(3-1)5-6-9-8/h1-6H

InChI key

FCEHBMOGCRZNNI-UHFFFAOYSA-N

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Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Chronic 3

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

230.0 °F - closed cup

Flash Point(C)

110 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Susana O Ribeiro et al.
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Different methodologies were used to increase the oxidative desulfurization efficiency of the Keggin phosphotungstate [PW12O40]3- (PW12). One possibility was to replace the acid proton by three different ionic liquid cations, forming the novel hybrid polyoxometalates: [BMIM]₃PW12 (BMIM as 1-butyl-3-methylimidazolium), [BPy]₃PW12
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Linear gradient programs are very frequently used in reversed phase liquid chromatography to enhance the selectivity compared to isocratic separations. Multi-linear gradient programs on the other hand are only scarcely used, despite their intrinsically larger separation power. Because the gradient-conformity
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Alan P Graves et al.
Journal of medicinal chemistry, 48(11), 3714-3728 (2005-05-27)
Molecular docking is widely used to predict novel lead compounds for drug discovery. Success depends on the quality of the docking scoring function, among other factors. An imperfect scoring function can mislead by predicting incorrect ligand geometries or by selecting

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