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Substance Name: 5-Hydroxypyridine-2-carboxaldehyde thiosemicarbazone
RN: 19494-89-4
UNII: 7E4G242I83
InChIKey: LJHGXGDHNOZLFT-XCVCLJGOSA-N

Molecular Formula

  • C7-H8-N4-O-S

Molecular Weight

  • 196.233
 
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Names and Synonyms

Name of Substance

  • 5-Hydroxypyridine-2-carboxaldehyde thiosemicarbazone

Synonyms

  • 5-21-12-00145 (Beilstein Handbook Reference)
  • 5-HP
  • 5-Hydroxy-2-formylpyridine thiosemicarbazone
  • 5-Hydroxypicolinaldehyde thiosemicarbazone
  • 5-Hydroxypyridine-2-carboxaldehyde thiosemicarbazone
  • BRN 1529208
  • NSC 107392
  • UNII-7E4G242I83

Systematic Names

  • Hydrazinecarbothioamide, 2-((5-hydroxy-2-pyridinyl)methylene)- (9CI)
  • Picolinaldehyde, 5-hydroxy-, thiosemicarbazone

Registry Numbers

CAS Registry Number

  • 19494-89-4

FDA UNII

  • 7E4G242I83

System Generated Number

  • 0019494894

Structure Descriptors

InChI

1S/C7H8N4OS/c8-7(13)11-10-3-5-1-2-6(12)4-9-5/h1-4,12H,(H3,8,11,13)/b10-3+

InChIKey

LJHGXGDHNOZLFT-XCVCLJGOSA-N

Smiles

c1(ccc(O)cn1)\C=N\NC(N)=S

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 641mg/kg (641mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.04 (none)   EXP
Water Solubility 1210 mg/L 25 EST
Vapor Pressure 1.47E-06 mm Hg 25 EST
Henry's Law Constant 4.64E-15 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.37E-11 cm3/molecule-sec 25 EST

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