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Substance Name: 4-Aminothiophenol
RN: 1193-02-8
UNII: 8X56V0K20X
InChIKey: WCDSVWRUXWCYFN-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C6-H7-N-S

Molecular Weight

  • 125.194
 
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Names and Synonyms

Name of Substance

  • 4-Aminothiophenol

Synonyms

  • 4-13-00-01289 (Beilstein Handbook Reference)
  • 4-Aminobenzenethiol
  • 4-Aminothiophenol
  • 4-Mercaptoaniline
  • AI3-52549
  • BRN 0906904
  • EINECS 214-763-4
  • p-Aminobenzenethiol
  • p-Aminophenylmercaptan
  • p-Aminothiophenol
  • p-Mercaptoaniline
  • UNII-8X56V0K20X

Systematic Names

  • 4-Aminobenzenethiol
  • Benzenethiol, 4-amino-
  • Benzenethiol, 4-amino- (9CI)
  • Benzenethiol, p-amino-

Registry Numbers

CAS Registry Number

  • 1193-02-8

FDA UNII

  • 8X56V0K20X

System Generated Number

  • 0001193028

Structure Descriptors

InChI

1S/C6H7NS/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2

InChIKey

WCDSVWRUXWCYFN-UHFFFAOYSA-N

Smiles

c1(ccc(S)cc1)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 42200ug/kg (42.2mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.
mouse LDLo oral 320mg/kg (320mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 14, Pg. 111, 1985.
quail LD50 oral 42200ug/kg (42.2mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 46 deg C   EXP
log P (octanol-water) 1.31 (none)   EXP
Water Solubility 7300 mg/L 25 EST
Vapor Pressure 0.024 mm Hg 25 EST
Henry's Law Constant 1.85E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.81E-11 cm3/molecule-sec 25 EST

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