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Substance Name: 4-(Methylthio)phenol
RN: 1073-72-9
UNII: 9T83QI0Z1L
InChIKey: QASBCTGZKABPKX-UHFFFAOYSA-N

Note

  • Fensulfothion metabolite.

Molecular Formula

  • C7-H8-O-S

Molecular Weight

  • 140.205
 
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Names and Synonyms

Name of Substance

  • 4-(Methylthio)phenol

Synonyms

  • 4-(Methylthio)phenol
  • 4-06-00-05790 (Beilstein Handbook Reference)
  • 4-Methylmercaptophenol
  • AI3-28073
  • BRN 2041507
  • CCRIS 5837
  • EINECS 214-031-4
  • NSC 75840
  • p-(Methylthio)phenol
  • UNII-9T83QI0Z1L

Systematic Names

  • 4-(Methylthio)phenol
  • 4-Methylmercaptophenol
  • Phenol, 4-(methylthio)-
  • Phenol, p-(methylthio)-

Registry Numbers

CAS Registry Number

  • 1073-72-9

FDA UNII

  • 9T83QI0Z1L

System Generated Number

  • 0001073729

Structure Descriptors

InChI

1S/C7H8OS/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3

InChIKey

QASBCTGZKABPKX-UHFFFAOYSA-N

Smiles

c1(ccc(O)cc1)SC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intracrebral 60mg/kg (60mg/kg)   Pesticide Biochemistry and Physiology. Vol. 8, Pg. 302, 1978.

Physical Properties

Physical Property Value Units Temp (deg C) Source
pKa Dissociation Constant 9.53 (none) 25 EXP
log P (octanol-water) 1.78 (none)   EXP
Water Solubility 9590 mg/L 25 EST
Vapor Pressure 8.72E-03 mm Hg 25 EST
Henry's Law Constant 1.63E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.17E-11 cm3/molecule-sec 25 EST

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