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Substance Name: Thiocyanic acid, (2-(1,3-dioxo-4,7-epoxyisoindolin-2-yl)ethyl) ester
RN: 102367-29-3
InChIKey: KIBMFAFKVSJJBU-UHFFFAOYSA-N

Molecular Formula

  • C11-H12-N2-O3-S

Molecular Weight

  • 246.2454
 
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Names and Synonyms

Synonyms

  • 2-(1,3-Dioxo-4,7-epoxyisoindolin-2-yl)ethyl thiocyanate
  • N-(beta-Thiocyanoethyl)-3,6-endoxohexahydrophthalimide

Systematic Name

  • Thiocyanic acid, (2-(1,3-dioxo-4,7-epoxyisoindolin-2-yl)ethyl) ester

Registry Numbers

CAS Registry Number

  • 102367-29-3

System Generated Number

  • 0102367293

Structure Descriptors

InChI

1S/C11H6N2O3S/c12-5-17-4-3-13-10(14)8-6-1-2-7(16-6)9(8)11(13)15/h1-2H,3-4H2

InChIKey

KIBMFAFKVSJJBU-UHFFFAOYSA-N

Smiles

C(CN1C(c2c3ccc(c2C1=O)o3)=O)SC#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#06477,