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Substance Name: Isonicotinamide, N,N'-methylenebis(thio-, hydrate
RN: 63905-50-0
InChIKey: DSEDPIIWAOBUTQ-UHFFFAOYSA-N

Molecular Formula

  • C13-H12-N4-S2.H2-O

Molecular Weight

  • 306.413
 
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Names and Synonyms

Synonyms

  • Isonicotinamide, N,N'-methylenedithiodi-, hydrate
  • N,N'-Methylene-bis-(thioisonicotinamide) hydrate

Systematic Name

  • Isonicotinamide, N,N'-methylenebis(thio-, hydrate

Registry Numbers

CAS Registry Number

  • 63905-50-0

System Generated Number

  • 0063905500

Molecular Formulas

Molecular Formula

  • C13-H12-N4-S2.H2-O

Molecular Formula Fragments

  • C13-H12-N4-S2
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C13H12N4S2.H2O/c18-12(10-1-5-14-6-2-10)16-9-17-13(19)11-3-7-15-8-4-11;/h1-8H,9H2,(H,16,18)(H,17,19);1H2

InChIKey

DSEDPIIWAOBUTQ-UHFFFAOYSA-N

Smiles

c1(C(NCNC(c2ccncc2)=S)=S)ccncc1.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 250mg/kg (250mg/kg)   National Technical Information Service. Vol. AD691-490,