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Substance Name: Ketone, methyl 3-thianaphthenyl
RN: 1128-05-8
InChIKey: ZTTZKDDWXHQKSY-UHFFFAOYSA-N

Molecular Formula

  • C10-H8-O-S

Molecular Weight

  • 176.238
 
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Names and Synonyms

Synonyms

  • 3-Acetylbenzo(b)thiophene
  • 3-Acetylbenzothiophene
  • 3-Acetylthianaphthene
  • 3-Acetylthionaphthene
  • 5-17-10-00173 (Beilstein Handbook Reference)
  • AI3-18374
  • BRN 0122587
  • Ketone, methyl 3-thianaphthenyl
  • NSC 3226

Systematic Names

  • Ethanone, 1-benzo(b)thien-3-yl-
  • Ethanone, 1-benzo(b)thien-3-yl- (9CI)
  • Ketone, benzo(b)thien-3-yl methyl (8CI)
  • Ketone, methyl 3-thianaphthenyl

Registry Numbers

CAS Registry Number

  • 1128-05-8

System Generated Number

  • 0001128058

Structure Descriptors

InChI

1S/C10H8OS/c1-7(11)9-6-12-10-5-3-2-4-8(9)10/h2-6H,1H3

InChIKey

ZTTZKDDWXHQKSY-UHFFFAOYSA-N

Smiles

c12c(scc1C(C)=O)cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo parenteral 400mg/kg (400mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 7, Pg. 690, 1955.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.78 (none)   EXP
Water Solubility 243 mg/L 25 EST
Vapor Pressure 3.93E-04 mm Hg 25 EST
Henry's Law Constant 5.20E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.75E-11 cm3/molecule-sec 25 EST

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