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Substance Name: Benzo(a)dibenzothiophene
RN: 239-35-0
UNII: TSV456A44D
InChIKey: YEUHHUCOSQOCIX-UHFFFAOYSA-N

Molecular Formula

  • C16-H10-S

Molecular Weight

  • 234.321
 
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Names and Synonyms

Name of Substance

  • Benzo(a)dibenzothiophene

Synonyms

  • 1,2-Benzo-9-thiafluorene
  • Benzo(a)dibenzothiophene
  • Benzo(b)naphtho(2,1-d)thiophene
  • CCRIS 4012
  • EINECS 205-948-0
  • Naphtho(1,2-b)thianaphthene
  • NSC 89259
  • UNII-TSV456A44D

Systematic Names

  • 11-Thiabenzo(a)fluorene
  • Benzo(b)naphtho(2,1-d)thiophene

Registry Numbers

CAS Registry Number

  • 239-35-0

FDA UNII

  • TSV456A44D

System Generated Number

  • 0000239350

Structure Descriptors

InChI

1S/C16H10S/c1-2-6-12-11(5-1)9-10-14-13-7-3-4-8-15(13)17-16(12)14/h1-10H

InChIKey

YEUHHUCOSQOCIX-UHFFFAOYSA-N

Smiles

c12c(c3ccccc3s2)ccc2c1cccc2

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 189 deg C   EXP
log P (octanol-water) 5.340 (none)   EST
Water Solubility 0.062 mg/L 25 EST
Henry's Law Constant 2.72E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.00E-11 cm3/molecule-sec 25 EST

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