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Substance Name: 2-Thiopyridine
RN: 2637-34-5
InChIKey: WHMDPDGBKYUEMW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C5-H5-N-S

Molecular Weight

  • 111.168
 
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Names and Synonyms

Name of Substance

  • 2-Thiopyridine

Synonyms

  • 2-Mercaptopyridine
  • 2-Pyridinethiol
  • 2-Thiopyridine
  • EINECS 220-131-9
  • NSC 41337
  • Pyrid-2-thione
  • Thiopyridone-2
  • Thiopyridone-2 [French]

Systematic Names

  • 2(1H)-Pyridinethione
  • Pyridine-2-thiol

Registry Numbers

CAS Registry Number

  • 2637-34-5

Other Registry Numbers

  • 1120-96-3
  • 123574-65-2
  • 1623130-98-2
  • 811801-36-2

System Generated Number

  • 0002637345

Structure Descriptors

InChI

1S/C5H5NS/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)

InChIKey

WHMDPDGBKYUEMW-UHFFFAOYSA-N

Smiles

c1(ccccn1)S

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 250mg/kg (250mg/kg)   National Technical Information Service. Vol. AD691-490,
mouse LD50 intravenous 250mg/kg (250mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 93, Pg. 143, 1953.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 128-130 deg C   EXP
pKa Dissociation Constant -1.07E+00 (none) 20 EXP
log P (octanol-water) -0.13 (none)   EXP
Water Solubility 1.39E+05 mg/L 25 EST
Vapor Pressure 8.63E-03 mm Hg 25 EST
Henry's Law Constant 1.23E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.48E-10 cm3/molecule-sec 25 EST

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