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Substance Name: Thiocyanic acid, 4-fluorobutyl ester
RN: 353-17-3
InChIKey: WJNNTTIXPJJQJD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C5-H8-F-N-S

Molecular Weight

  • 133.189
 
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Names and Synonyms

Synonyms

  • 4-03-00-00330 (Beilstein Handbook Reference)
  • 4-Fluorobutyl thiocyanate
  • BRN 1746871

Systematic Name

  • Thiocyanic acid, 4-fluorobutyl ester

Registry Numbers

CAS Registry Number

  • 353-17-3

System Generated Number

  • 0000353173

Structure Descriptors

InChI

1S/C5H8FNS/c6-3-1-2-4-8-5-7/h1-4H2

InChIKey

WJNNTTIXPJJQJD-UHFFFAOYSA-N

Smiles

C(#N)SCCCCF

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2600ug/kg (2.6mg/kg)   Journal of the American Chemical Society. Vol. 78, Pg. 3843, 1956.
mouse LD50 subcutaneous 2600ug/kg (2.6mg/kg)   Compilation of LD50 Values of New Drugs.