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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:
95-15-8
Molecular Weight:
134.20
Beilstein/REAXYS Number:
80580
EC Number:
202-395-7
MDL number:
MFCD00005864
UNSPSC Code:
12352100
PubChem Substance ID:
24900068
NACRES:
NA.22

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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Related Categories

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H302,H412

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Chronic 3

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

230.0 °F - closed cup

flash_point_c

110 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

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Susana O Ribeiro et al.
Materials (Basel, Switzerland), 11(7) (2018-07-14)
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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Journal of chromatography. A, 1358, 145-154 (2014-07-21)
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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