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Substance Name: Barbituric acid, 5-hydroxy-5-thiosemicarbazide, hydrate
RN: 73681-08-0
InChIKey: JNSSGWQDLFGIJK-UHFFFAOYSA-N

Molecular Formula

  • C5-H7-N5-O4-S.H2-O

Molecular Weight

  • 251.222
 
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Names and Synonyms

Synonym

  • 5-Hydroxy-5-thiosemicarbazidebarbituric acid hydrate

Systematic Name

  • Barbituric acid, 5-hydroxy-5-thiosemicarbazide, hydrate

Registry Numbers

CAS Registry Number

  • 73681-08-0

System Generated Number

  • 0073681080

Molecular Formulas

Molecular Formula

  • C5-H7-N5-O4-S.H2-O

Molecular Formula Fragments

  • C5-H7-N5-O4-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C5H7N5O4S.H2O/c6-3(15)9-10-5(14)1(11)7-4(13)8-2(5)12;/h10,14H,(H3,6,9,15)(H2,7,8,11,12,13);1H2

InChIKey

JNSSGWQDLFGIJK-UHFFFAOYSA-N

Smiles

C1(C(NC(=O)NC1=O)=O)(NNC(N)=S)O.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03051,