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Substance Name: Picolinamide, thio-
RN: 5346-38-3
InChIKey: HYKQYVSNFPWGKQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C6-H6-N2-S

Molecular Weight

  • 138.193
 
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Names and Synonyms

Synonyms

  • 2-Pyridinecarbothioamide
  • 2-Thiocarbamoylpyridine
  • 2-Thiopicolinamide
  • 5-22-02-00052 (Beilstein Handbook Reference)
  • BRN 0109733
  • NSC 1606
  • Picolinic acid thioamide
  • Picolinothioamide
  • Thio-2-pyridinecarboxamide
  • Thiopicolinamide

Systematic Name

  • Picolinamide, thio-

Registry Numbers

CAS Registry Number

  • 5346-38-3

System Generated Number

  • 0005346383

Structure Descriptors

InChI

1S/C6H6N2S/c7-6(9)5-3-1-2-4-8-5/h1-4H,(H2,7,9)

InChIKey

HYKQYVSNFPWGKQ-UHFFFAOYSA-N

Smiles

n1ccccc1C(=S)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1700mg/kg (1700mg/kg)   Journal of Organic Chemistry. Vol. 19, Pg. 753, 1954.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.24 (none)   EXP
Water Solubility 7.58E+04 mg/L 25 EST
Vapor Pressure 8.41E-03 mm Hg 25 EST
Henry's Law Constant 5.13E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.18E-11 cm3/molecule-sec 25 EST

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