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Substance Name: 1-Butanone, 4-((1-methyl-1H-tetrazol-5-yl)thio)-1-(2-thienyl)-
RN: 80087-46-3
InChIKey: OMWWJHVYRYUDQO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H12-N4-O-S2

Molecular Weight

  • 268.3638
 
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Names and Synonyms

Synonyms

  • 1-Methyl-5-(3-(2-thenoyl)propyl)thio-1,2,3,4-tetrazole
  • 4-((1-Methyl-1H-tetrazol-5-yl)thio)-1-(2-thienyl)-1-butanone

Systematic Name

  • 1-Butanone, 4-((1-methyl-1H-tetrazol-5-yl)thio)-1-(2-thienyl)-

Registry Numbers

CAS Registry Number

  • 80087-46-3

System Generated Number

  • 0080087463

Structure Descriptors

InChI

1S/C10H12N4OS2/c1-14-10(11-12-13-14)17-7-2-4-8(15)9-5-3-6-16-9/h3,5-6H,2,4,7H2,1H3

InChIKey

OMWWJHVYRYUDQO-UHFFFAOYSA-N

Smiles

Cn1c(nnn1)SCCCC(=O)c2cccs2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral > 500mg/kg (500mg/kg)   United States Patent Document. Vol. #4372953,