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Substance Name: Propanedioic acid, 1,3-dithiepan-2-ylidene-, bis(1-methylethyl) ester
RN: 62314-48-1
InChIKey: GKVWPWTVHHCJMS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H22-O4-S2

Molecular Weight

  • 318.4558
 
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Names and Synonyms

Synonyms

  • Bis(1-methylethyl) 1,3-dithiepan-2-ylidenepropanedioate
  • Diisopropyl 1,3-dithiepan-2-ylidenemalonate

Systematic Name

  • Propanedioic acid, 1,3-dithiepan-2-ylidene-, bis(1-methylethyl) ester

Registry Numbers

CAS Registry Number

  • 62314-48-1

System Generated Number

  • 0062314481

Structure Descriptors

InChI

1S/C14H22O4S2/c1-9(2)17-12(15)11(13(16)18-10(3)4)14-19-7-5-6-8-20-14/h9-10H,5-8H2,1-4H3

InChIKey

GKVWPWTVHHCJMS-UHFFFAOYSA-N

Smiles

CC(C)OC(=O)C(=C1SCCCCS1)C(=O)OC(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 5gm/kg (5000mg/kg)   United States Patent Document. Vol. #4022907,