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Substance Name: Thionicotinamide
RN: 4621-66-3
UNII: 6A0HXX0753
InChIKey: XQWBMZWDJAZPPX-UHFFFAOYSA-N

Molecular Formula

  • C6-H6-N2-S

Molecular Weight

  • 138.193
 
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Names and Synonyms

Name of Substance

  • Thionicotinamide

Synonyms

  • 3-Pyridinethiocarboxamide
  • 3-Pyridylthioformamide
  • 3-Thioamidopyridine
  • 3-Thiocarbamoylpyridine
  • 5-22-02-00187 (Beilstein Handbook Reference)
  • BRN 0109593
  • EINECS 225-036-6
  • Nicotinothioamide
  • NSC 18336
  • Thio-3-pyridinecarboxamide
  • Thionicotinamide
  • UNII-6A0HXX0753

Systematic Names

  • 3-Pyridinecarbothioamide
  • Nicotinamide, thio-
  • Thionicotinamide

Registry Numbers

CAS Registry Number

  • 4621-66-3

FDA UNII

  • 6A0HXX0753

System Generated Number

  • 0004621663

Structure Descriptors

InChI

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

InChIKey

XQWBMZWDJAZPPX-UHFFFAOYSA-N

Smiles

c1(cccnc1)C(N)=S

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD25 intraperitoneal 105mg/kg (105mg/kg)   Journal of Pharmaceutical Sciences. Vol. 64, Pg. 528, 1975.
mouse LD50 oral 1750mg/kg (1750mg/kg)   Journal of Organic Chemistry. Vol. 19, Pg. 753, 1954.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.67 (none)   EXP
Water Solubility 2.32E+05 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.