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Substance Name: 2-Furaldehyde, thiosemicarbazone
RN: 5419-96-5
InChIKey: ZLHKUOXVUSHCLN-YWEYNIOJSA-N

Molecular Formula

  • C6-H7-N3-O-S

Molecular Weight

  • 169.207
 
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Names and Synonyms

Synonyms

  • AI3-61592
  • Furfural thiosemicarbazone
  • Furfuraldehyde thiosemicarbazone
  • NSC 27474
  • NSC 9944
  • Semicarbazide, 4-(furfurylidene)-2-thio-

Systematic Names

  • 2-Furaldehyde, thiosemicarbazone
  • Hydrazinecarbothioamide, 2-(2-furanylmethylene)- (9CI)

Registry Numbers

CAS Registry Number

  • 5419-96-5

System Generated Number

  • 0005419965

Structure Descriptors

InChI

1S/C6H7N3OS/c7-6(11)9-8-4-5-2-1-3-10-5/h1-4H,(H3,7,9,11)/b8-4-

InChIKey

ZLHKUOXVUSHCLN-YWEYNIOJSA-N

Smiles

C(=S)(N\N=C/c1occc1)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 86mg/kg (86mg/kg)   Yaoxue Xuebao. Acta Pharmaceutica Sinica. Pharmaceutical Journal. Vol. 24, Pg. 737, 1989.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.64 (none)   EXP
Water Solubility 2470 mg/L 25 EST
Vapor Pressure 9.56E-04 mm Hg 25 EST
Henry's Law Constant 3.40E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.82E-10 cm3/molecule-sec 25 EST

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