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Substance Name: Pyridine, 2-(methylthio)-
RN: 18438-38-5
InChIKey: VLQBSKLZRSUMTJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C6-H7-N-S

Molecular Weight

  • 125.194
 
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Names and Synonyms

Synonyms

  • 2-(Methylthio)pyridine
  • 2-Methylthiolpyridine
  • 2-Pyridyl methyl sulfide
  • 5-21-02-00033 (Beilstein Handbook Reference)
  • BRN 0108190
  • Methyl 2-pyridyl sulfide
  • Methylthio-2 pyridine
  • Methylthio-2 pyridine [French]

Systematic Name

  • Pyridine, 2-(methylthio)-

Registry Numbers

CAS Registry Number

  • 18438-38-5

System Generated Number

  • 0018438385

Structure Descriptors

InChI

1S/C6H7NS/c1-8-6-4-2-3-5-7-6/h2-5H,1H3

InChIKey

VLQBSKLZRSUMTJ-UHFFFAOYSA-N

Smiles

c1(ccccn1)SC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 175mg/kg (175mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 93, Pg. 143, 1953.

Physical Properties

Physical Property Value Units Temp (deg C) Source
pKa Dissociation Constant 3.59 (none) 20 EXP
log P (octanol-water) 1.71 (none)   EXP
Water Solubility 3330 mg/L 25 EST
Vapor Pressure 0.408 mm Hg 25 EST
Henry's Law Constant 8.00E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.45E-12 cm3/molecule-sec 25 EST

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