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Substance Name: Isobutyl sulfoxide
RN: 3085-40-3
InChIKey: MCDJZKPTBCWNSJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H18-O-S

Molecular Weight

  • 162.295
 
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Names and Synonyms

Synonyms

  • 4-01-00-01607 (Beilstein Handbook Reference)
  • BRN 1747354
  • Diisobutyl sulfoxid
  • Diisobutyl sulfoxid [German]
  • Diisobutyl sulfoxide
  • Propane, 1,1'-sulfinylbis(2-methyl-

Systematic Name

  • Isobutyl sulfoxide

Registry Numbers

CAS Registry Number

  • 3085-40-3

System Generated Number

  • 0003085403

Structure Descriptors

InChI

1S/C8H18OS/c1-7(2)5-10(9)6-8(3)4/h7-8H,5-6H2,1-4H3

InChIKey

MCDJZKPTBCWNSJ-UHFFFAOYSA-N

Smiles

C(S(CC(C)C)=O)C(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 800mg/kg (800mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA Pharmazie. Vol. 26, Pg. 96, 1970.