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Substance Name: Acetic acid, thiocyanato-, pentyl ester
RN: 5439-31-6
InChIKey: USRQZOYSVUTGMQ-UHFFFAOYSA-N

Molecular Formula

  • C8-H13-N-O2-S

Molecular Weight

  • 187.262
 
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Names and Synonyms

Synonyms

  • NSC 15095
  • Thiocyanatoacetic acid pentyl ester
  • Thiocyano-essigsaeure-n-amyl-ester
  • Thiocyano-essigsaeure-n-amyl-ester [German]

Systematic Name

  • Acetic acid, thiocyanato-, pentyl ester

Registry Numbers

CAS Registry Number

  • 5439-31-6

System Generated Number

  • 0005439316

Structure Descriptors

InChI

1S/C8H13NO2S/c1-2-3-4-5-11-8(10)6-12-7-9/h2-6H2,1H3

InChIKey

USRQZOYSVUTGMQ-UHFFFAOYSA-N

Smiles

O(C(CSC#N)=O)CCCCC

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.