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Substance Name: Dibenzothiophene [USAN]
RN: 132-65-0
UNII: Z3D4AJ1R48
InChIKey: IYYZUPMFVPLQIF-UHFFFAOYSA-N

Classification Code

  • Keratolytic

Molecular Formula

  • C12-H8-S

Molecular Weight

  • 184.261
 
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Names and Synonyms

Name of Substance

  • Dibenzothiophene
  • Dibenzothiophene [USAN]
  • Diphenylene sulfide

Synonyms

  • (1,1'-Biphenyl)-2,2'-diyl sulfide
  • 2,2'-Biphenylylene sulfide
  • 9-Thiafluorene
  • AI3-00043
  • alpha-Thiafluorene
  • CCRIS 5307
  • Dibenzo(b,d)thiophene
  • Dibenzothiophene
  • Diphenylene sulfide
  • EINECS 205-072-9
  • HSDB 7409
  • NSC 2843
  • UNII-Z3D4AJ1R48

Systematic Name

  • Dibenzothiophene

Registry Numbers

CAS Registry Number

  • 132-65-0

FDA UNII

  • Z3D4AJ1R48

System Generated Number

  • 0000132650

Structure Descriptors

InChI

1S/C12H8S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H

InChIKey

IYYZUPMFVPLQIF-UHFFFAOYSA-N

Smiles

c12c3c(cccc3)sc1cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 500mg/kg (500mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 4, Pg. 378, 1952.
mouse LD50 oral 470mg/kg (470mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

BEHAVIORAL: COMA
Fundamental and Applied Toxicology. Vol. 12, Pg. 787, 1989.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 97 deg C   EXP
Boiling Point 332.5 deg C   EXP
log P (octanol-water) 4.38 (none)   EXP
Water Solubility 1.47 mg/L 25 EXP
Henry's Law Constant 3.38E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.10E-12 cm3/molecule-sec 24 EXP

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