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Substance Name: Acetic acid, thiocyanato-, butyl ester
RN: 5345-64-2
UNII: R10SIU4BNY
InChIKey: XZTITLBRCIKBCW-UHFFFAOYSA-N

Molecular Formula

  • C7-H11-N-O2-S

Molecular Weight

  • 173.235
 
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Names and Synonyms

Name of Substance

  • Acetic acid, thiocyanato-, butyl ester

Synonyms

  • 4-03-00-00620 (Beilstein Handbook Reference)
  • BRN 1771501
  • NSC 1716
  • Thiocyanatoacetic acid butyl ester
  • Thiocyano-essigsaeure-n-butyl-ester
  • Thiocyano-essigsaeure-n-butyl-ester [German]
  • UNII-R10SIU4BNY

Systematic Name

  • Acetic acid, thiocyanato-, butyl ester

Registry Numbers

CAS Registry Number

  • 5345-64-2

FDA UNII

  • R10SIU4BNY

System Generated Number

  • 0005345642

Structure Descriptors

InChI

1S/C7H11NO2S/c1-2-3-4-10-7(9)5-11-6-8/h2-5H2,1H3

InChIKey

XZTITLBRCIKBCW-UHFFFAOYSA-N

Smiles

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

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.