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Substance Name: Thioanisidine
RN: 104-96-1
InChIKey: YKFROQCFVXOUPW-UHFFFAOYSA-N

Classification Code

  • TSCA Flag PMN (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C7-H9-N-S

Molecular Weight

  • 139.221
 
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Names and Synonyms

Name of Substance

  • Thioanisidine

Synonyms

  • 4-(Methylthio)aniline
  • 4-(Methylthio)benzenamine
  • 4-13-00-01289 (Beilstein Handbook Reference)
  • 4-Aminothioanisole
  • BRN 0774506
  • EINECS 203-256-3
  • NSC 75842
  • p-(Methylthio)aniline
  • p-Aminophenyl methyl sulfide
  • p-Aminothioanisole
  • p-Thioanisidine
  • p-Thiomethoxyaniline

Systematic Names

  • 4-(Methylthio)aniline
  • Aniline, p-(methylthio)-
  • Benzenamine, 4-(methylthio)-

Registry Numbers

CAS Registry Number

  • 104-96-1

System Generated Number

  • 0000104961

Structure Descriptors

InChI

1S/C7H9NS/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3

InChIKey

YKFROQCFVXOUPW-UHFFFAOYSA-N

Smiles

Nc1ccc(cc1)SC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
quail LD50 oral 562mg/kg (562mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 272.5 deg C   EXP
log P (octanol-water) 1.680 (none)   EST
Atmospheric OH Rate Constant 6.72E-11 cm3/molecule-sec 25 EST

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