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Substance Name: Benzaldehyde thiosemicarbazone
RN: 1627-73-2
InChIKey: UYHCMAZIKNVDSX-UXBLZVDNSA-N

Classification Codes

  • Agricultural Chemical
  • Experimental Pesticide
  • Unspecified / Unclassified Pesticide

Molecular Formula

  • C8-H9-N3-S

Molecular Weight

  • 179.246
 
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Names and Synonyms

Synonyms

  • 2-(Phenylmethylene)hydrazinecarbothioamide
  • 4-07-00-00538 (Beilstein Handbook Reference)
  • AI3-22958
  • Benzaldehyde thiosemicarbazone
  • BRN 2045550
  • EINECS 216-618-0
  • NSC 267

Systematic Names

  • Benzaldehyde thiosemicarbazone
  • Hydrazinecarbothioamide, 2-(phenylmethylene)- (9CI)

Registry Numbers

CAS Registry Number

  • 1627-73-2

System Generated Number

  • 0001627732

Structure Descriptors

InChI

1S/C8H9N3S/c9-8(12)11-10-6-7-4-2-1-3-5-7/h1-6H,(H3,9,11,12)/b10-6+

InChIKey

UYHCMAZIKNVDSX-UXBLZVDNSA-N

Smiles

c1ccccc1\C=N\NC(=S)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 100mg/kg (100mg/kg)   Journal of Pharmacy and Pharmacology. Vol. 2, Pg. 764, 1950.
rat LDLo oral 500mg/kg (500mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 44, 1953.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.86 (none)   EXP
Water Solubility 1430 mg/L 25 EST
Vapor Pressure 1.74E-04 mm Hg 25 EST
Henry's Law Constant 3.41E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.06E-11 cm3/molecule-sec 25 EST

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