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Substance Name: Isothiocyanic acid, (4-piperidinosulfonyl)phenyl ester
RN: 7356-55-0
InChIKey: PMPSZAXEUCIVDC-UHFFFAOYSA-N

Molecular Formula

  • C12-H14-N2-O2-S2

Molecular Weight

  • 282.387
 
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Names and Synonyms

Synonyms

  • BRN 4939532
  • Isothiocyanic acid, (4-piperidinosulfonylphenyl) ester
  • N-(4-Isothiocyanatobenzenesulfonyl)piperidine
  • N-(4-Piperidinosulfonylphenyl)isothiocyanate
  • NSC 68337

Systematic Names

  • Isothiocyanic acid, (4-piperidinosulfonyl)phenyl ester
  • Piperidine, 1-((4-isothiocyanatophenyl)sulfonyl)- (9CI)

Registry Numbers

CAS Registry Number

  • 7356-55-0

System Generated Number

  • 0007356550

Structure Descriptors

InChI

1S/C12H14N2O2S2/c15-18(16,14-8-2-1-3-9-14)12-6-4-11(5-7-12)13-10-17/h4-7H,1-3,8-9H2

InChIKey

PMPSZAXEUCIVDC-UHFFFAOYSA-N

Smiles

c1(S(N2CCCCC2)(=O)=O)ccc(N=C=S)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100mg/kg (100mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00951,