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Substance Name: Benzothiophene
RN: 95-15-8
UNII: 073790YQ2G
InChIKey: FCEHBMOGCRZNNI-UHFFFAOYSA-N

Molecular Formula

  • C8-H6-S

Molecular Weight

  • 134.201
 
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Names and Synonyms

Name of Substance

  • Benzothiophene

Synonyms

  • 1-Benzothiophene
  • 1-Thiaindene
  • 2,3-Benzothiophene
  • AI3-15523
  • Benzothiofuran
  • Benzothiophen
  • EINECS 202-395-7
  • NSC 47196
  • Thianaphtene
  • Thianaphthen
  • Thianaphthene
  • Thionaphthene
  • UNII-073790YQ2G

Systematic Name

  • Benzo(b)thiophene

Registry Numbers

CAS Registry Number

  • 95-15-8

FDA UNII

  • 073790YQ2G

Other Registry Number

  • 11095-43-5

System Generated Number

  • 0000095158

Structure Descriptors

InChI

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

InChIKey

FCEHBMOGCRZNNI-UHFFFAOYSA-N

Smiles

c12c(scc1)cccc2

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 32 deg C   EXP
Boiling Point 221 deg C   EXP
log P (octanol-water) 3.12 (none)   EXP
Water Solubility 130 mg/L 25 EXP
Henry's Law Constant 2.86E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.00E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.