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Substance Name: Propyl thiocyanatoacetate
RN: 5349-21-3
UNII: ATK1VM2J9Z
InChIKey: CVNWOVUZADASQH-UHFFFAOYSA-N

Molecular Formula

  • C6-H9-N-O2-S

Molecular Weight

  • 159.208
 
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Names and Synonyms

Name of Substance

  • Propyl thiocyanatoacetate

Synonyms

  • BRN 4243692
  • NSC 1191
  • Propyl thiocyanatoacetate
  • Thiocyanatoacetic acid propyl ester
  • Thiocyano-essigsaeure-n-propyl-ester
  • Thiocyano-essigsaeure-n-propyl-ester [German]
  • UNII-ATK1VM2J9Z

Systematic Name

  • Acetic acid, thiocyanato-, propyl ester

Registry Numbers

CAS Registry Number

  • 5349-21-3

FDA UNII

  • ATK1VM2J9Z

System Generated Number

  • 0005349213

Structure Descriptors

InChI

1S/C6H9NO2S/c1-2-3-9-6(8)4-10-5-7/h2-4H2,1H3

InChIKey

CVNWOVUZADASQH-UHFFFAOYSA-N

Smiles

C(CSC#N)(OCCC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo intraperitoneal 40mg/kg (40mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 16, Pg. 870, 1966.