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Substance Name: 2-Thiepanone
RN: 17689-16-6
InChIKey: UCUOVADUXMCWOM-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C6-H10-O-S

Molecular Weight

  • 130.21
 
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Names and Synonyms

Synonyms

  • BRN 6855682
  • epsilon-Thiocaprolactone
  • Hexanoic acid, 6-mercapto-, epsilon-(thiolactone)
  • Thiepan-2-one

Systematic Name

  • 2-Thiepanone

Registry Numbers

CAS Registry Number

  • 17689-16-6

System Generated Number

  • 0017689166

Structure Descriptors

InChI

1S/C6H10OS/c7-6-4-2-1-3-5-8-6/h1-5H2

InChIKey

UCUOVADUXMCWOM-UHFFFAOYSA-N

Smiles

C1(SCCCCC1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 500uL/kg (0.5mL/kg)   Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.
rat LD50 oral 600uL/kg (0.6mL/kg)   Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.