|
gptkbp:instanceOf
|
gptkb:chemical_compound
heterocyclic compound
|
|
gptkbp:appearance
|
colorless to pale yellow liquid
|
|
gptkbp:aromaticity
|
aromatic
|
|
gptkbp:boilingPoint
|
221 °C
|
|
gptkbp:CASNumber
|
95-15-8
|
|
gptkbp:chemicalFormula
|
C8H6S
|
|
gptkbp:contains_functional_group
|
benzene ring
thiophene ring
|
|
gptkbp:containsElement
|
gptkb:sulfur
carbon
hydrogen
|
|
gptkbp:density
|
1.145 g/cm³
|
|
gptkbp:firstDescribed
|
1882
|
|
gptkbp:foundIn
|
gptkb:coal_tar
petroleum
|
|
gptkbp:hasInChIKey
|
InChI=1S/C8H6S/c1-2-4-8-7(3-1)5-6-9-8/h1-6H
|
|
gptkbp:hasSMILES
|
c1ccc2c(c1)cs2
|
|
https://www.w3.org/2000/01/rdf-schema#label
|
benzothiophene
|
|
gptkbp:IUPACName
|
benzo[b]thiophene
|
|
gptkbp:meltingPoint
|
-1 °C
|
|
gptkbp:molecularWeight
|
134.20 g/mol
|
|
gptkbp:PubChem_CID
|
7106
|
|
gptkbp:relatedTo
|
gptkb:benzofuran
gptkb:thiophene
dibenzothiophene
|
|
gptkbp:riskFactor
|
irritant
|
|
gptkbp:solubility
|
insoluble
soluble in organic solvents
|
|
gptkbp:structure
|
fused benzene and thiophene rings
|
|
gptkbp:uses
|
intermediate in organic synthesis
precursor to dyes
precursor to pharmaceuticals
|
|
gptkbp:bfsParent
|
gptkb:benzofuran
gptkb:thiophene
|
|
gptkbp:bfsLayer
|
7
|