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Substance Name: 2-Aminothiophenol
RN: 137-07-5
UNII: KIT82KOK2Z
InChIKey: VRVRGVPWCUEOGV-UHFFFAOYSA-N

Molecular Formula

  • C6-H7-N-S

Molecular Weight

  • 125.194
 
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Names and Synonyms

Name of Substance

  • 2-Aminothiophenol

Synonyms

  • 1-Amino-2-mercaptobenzene
  • 2-Aminobenzenethiol
  • 2-Aminothiophenol
  • 2-Mercaptaniline
  • 2-Mercaptoaniline
  • 4-13-00-00910 (Beilstein Handbook Reference)
  • AI3-52263
  • BRN 0606076
  • CCRIS 9096
  • EINECS 205-277-3
  • NSC 4738
  • o-Aminobenzenethiol
  • o-Aminothiophenol
  • o-Mercaptoaniline
  • UNII-KIT82KOK2Z
  • USAF EK-4376

Systematic Names

  • 2-Aminobenzenethiol
  • Benzenethiol, 2-amino-
  • Benzenethiol, o-amino-

Registry Numbers

CAS Registry Number

  • 137-07-5

FDA UNII

  • KIT82KOK2Z

Related Registry Number

  • 3292-42-0 (hydrochloride)

System Generated Number

  • 0000137075

Structure Descriptors

InChI

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

InChIKey

VRVRGVPWCUEOGV-UHFFFAOYSA-N

Smiles

c1(c(cccc1)S)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 25mg/kg (25mg/kg)   National Technical Information Service. Vol. AD277-689,
mouse LD50 intravenous 100mg/kg (100mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02532,
rat LDLo oral 500mg/kg (500mg/kg) BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 90, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 26 deg C   EXP
Boiling Point 234 deg C   EXP
pKa Dissociation Constant 3 (none) 20 EXP
log P (octanol-water) 1.43 (none)   EXP
Water Solubility 5770 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.