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Substance Name: Hexyl sulfoxide
RN: 2180-20-3
InChIKey: DLEXINLCPPEMMI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H26-O-S

Molecular Weight

  • 218.402
 
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Names and Synonyms

Synonyms

  • 4-01-00-01706 (Beilstein Handbook Reference)
  • BRN 1762083
  • Di-n-hexyl sulfoxid
  • Di-n-hexyl sulfoxid [German]
  • Di-n-hexyl sulfoxide
  • Dihexyl sulfoxide
  • Hexane, 1,1'-sulfinylbis-

Systematic Name

  • Hexyl sulfoxide

Registry Numbers

CAS Registry Number

  • 2180-20-3

System Generated Number

  • 0002180203

Structure Descriptors

InChI

1S/C12H26OS/c1-3-5-7-9-11-14(13)12-10-8-6-4-2/h3-12H2,1-2H3

InChIKey

DLEXINLCPPEMMI-UHFFFAOYSA-N

Smiles

C(S(CCCCCC)=O)CCCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 680mg/kg (680mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA Pharmazie. Vol. 26, Pg. 96, 1970.