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Substance Name: 4-Isothiazolecarbonitrile, 3-((cyanomethyl)thio)-5-(((4-fluorophenyl)methyl)thio)-
RN: 135489-12-2
InChIKey: KMKHNHSCLNXLCL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H8-F-N3-S3

Molecular Weight

  • 321.4232
 
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Names and Synonyms

Synonyms

  • 3-((Cyanomethyl)thio)-5-(((4-fluorophenyl)methyl)thio)-4-isothiazolecarbonitrile
  • BRN 4267516

Systematic Name

  • 4-Isothiazolecarbonitrile, 3-((cyanomethyl)thio)-5-(((4-fluorophenyl)methyl)thio)-

Registry Numbers

CAS Registry Number

  • 135489-12-2

System Generated Number

  • 0135489122

Structure Descriptors

InChI

1S/C13H8FN3S3/c14-10-3-1-9(2-4-10)8-19-13-11(7-16)12(17-20-13)18-6-5-15/h1-4H,6,8H2

InChIKey

KMKHNHSCLNXLCL-UHFFFAOYSA-N

Smiles

c1cc(ccc1CSc2c(c(ns2)SCC#N)C#N)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 1gm/kg (1000mg/kg) SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA
Farmaco. Vol. 46, Pg. 33, 1991.
mouse LD50 intraperitoneal 700mg/kg (700mg/kg)   Farmaco. Vol. 46, Pg. 33, 1991.