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Substance Name: 2,5-Dimethyl-3-thioisovalerylfuran
RN: 55764-28-8
UNII: L186I8YZ6T
InChIKey: XFNLWIPNTYNNJX-UHFFFAOYSA-N

Molecular Formula

  • C11-H16-O2-S

Molecular Weight

  • 212.311
 
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Names and Synonyms

Name of Substance

  • 2,5-Dimethyl-3-thioisovalerylfuran

Synonyms

  • 2,5-Dimethyl-3-thioisovaleryl furan
  • 2,5-Dimethyl-3-thioisovalerylfuran
  • 3-(Isovalerylthio)-2,5-dimethylfuran
  • Butanethioic acid, 3-methyl-, S-(2,5-dimethyl-3-furanyl) ester
  • EINECS 259-802-6
  • FEMA No. 3482
  • S-(2,5-Dimethyl-3-furanyl) 3-methylbutanethioate
  • S-(2,5-Dimethyl-3-furyl) thioisovalerate
  • UNII-L186I8YZ6T

Systematic Names

  • Butanethioic acid, 3-methyl-, S-(2,5-dimethyl-3-furanyl) ester
  • Isovaleric acid, thio-, S-2,5-dimethyl-3-furyl ester
  • S-(2,5-Dimethyl-3-furyl) 3-methylbutanethioate

Superlist Name

  • 2,5-Dimethyl-3-thioisovalerylfuran

Registry Numbers

CAS Registry Number

  • 55764-28-8

FDA UNII

  • L186I8YZ6T

System Generated Number

  • 0055764288

Structure Descriptors

InChI

1S/C11H16O2S/c1-7(2)5-11(12)14-10-6-8(3)13-9(10)4/h6-7H,5H2,1-4H3

InChIKey

XFNLWIPNTYNNJX-UHFFFAOYSA-N

Smiles

c1(c(oc(c1)C)C)SC(CC(C)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 625mg/kg (625mg/kg)   Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.