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Substance Name: Thianthrene
RN: 92-85-3
UNII: 4139V9M46H
InChIKey: GVIJJXMXTUZIOD-UHFFFAOYSA-N

Note

  • In its electron deficient state, effects formation of high-energy phosphate bonds in process of oxidative phosphorylation.

Molecular Formula

  • C12-H8-S2

Molecular Weight

  • 216.327
 
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Names and Synonyms

Name of Substance

  • Thianthrene

Synonyms

  • 9,10-Dithiaanthracene
  • AI3-00638
  • EINECS 202-197-0
  • NSC 439
  • Thiaanthrene
  • Thianthren
  • UNII-4139V9M46H

Systematic Name

  • Thianthrene

Registry Numbers

CAS Registry Number

  • 92-85-3

FDA UNII

  • 4139V9M46H

System Generated Number

  • 0000092853

Structure Descriptors

InChI

1S/C12H8S2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H

InChIKey

GVIJJXMXTUZIOD-UHFFFAOYSA-N

Smiles

c12c(Sc3ccccc3S1)cccc2

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 159.3 deg C   EXP
Boiling Point 365 deg C   EXP
log P (octanol-water) 4.47 (none)   EXP
Water Solubility 0.426 mg/L 25 EST
Vapor Pressure 3.10E-05 mm Hg 25 EST
Henry's Law Constant 8.30E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.54E-11 cm3/molecule-sec 25 EST

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