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Substance Name: Acetic acid, thiocyanato-, hexyl ester
RN: 13287-48-4
InChIKey: USSDLSWIXCOFDV-UHFFFAOYSA-N

Molecular Formula

  • C9-H15-N-O2-S

Molecular Weight

  • 201.288
 
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Names and Synonyms

Synonyms

  • 3-03-00-00431 (Beilstein Handbook Reference)
  • BRN 1778284
  • Thiocyanatoacetic acid hexyl ester
  • Thiocyano-essigsaeure-n-hexyl-ester
  • Thiocyano-essigsaeure-n-hexyl-ester [German]

Systematic Name

  • Acetic acid, thiocyanato-, hexyl ester

Registry Numbers

CAS Registry Number

  • 13287-48-4

System Generated Number

  • 0013287484

Structure Descriptors

InChI

1S/C9H15NO2S/c1-2-3-4-5-6-12-9(11)7-13-8-10/h2-7H2,1H3

InChIKey

USSDLSWIXCOFDV-UHFFFAOYSA-N

Smiles

C(OCCCCCC)(CSC#N)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo intraperitoneal 60mg/kg (60mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 16, Pg. 870, 1966.