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Substance Name: Phenol, o-mercapto- (6CI,7CI,8CI)
RN: 1121-24-0
InChIKey: VMKYTRPNOVFCGZ-UHFFFAOYSA-N

Molecular Formula

  • C6-H6-O-S

Molecular Weight

  • 126.178
 
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Names and Synonyms

Synonyms

  • 2-Hydroxybenzenothiol
  • 2-Hydroxythiophenol
  • 2-Mercaptophenol
  • EINECS 214-326-8
  • o-Hydroxybenzenothiol
  • o-Hydroxythiophenol
  • o-Mercaptophenol

Systematic Names

  • o-Mercaptophenol
  • Phenol, 2-mercapto-
  • Phenol, o-mercapto- (6CI,7CI,8CI)

Registry Numbers

CAS Registry Number

  • 1121-24-0

System Generated Number

  • 0001121240

Structure Descriptors

InChI

1S/C6H6OS/c7-5-3-1-2-4-6(5)8/h1-4,7-8H

InChIKey

VMKYTRPNOVFCGZ-UHFFFAOYSA-N

Smiles

c1(c(O)cccc1)S

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 178mg/kg (178mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
National Technical Information Service. Vol. OTS0537007,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 5.5 deg C   EXP
Boiling Point 217 deg C   EXP
log P (octanol-water) 2.210 (none)   EST
Atmospheric OH Rate Constant 1.81E-11 cm3/molecule-sec 25 EST

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