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Substance Name: Sulfonium, dimethyl((tetrahydro-2H-pyran-2-yl)methyl)-, salt with 4- methylbenzenesulfonic acid (1:1)
RN: 80519-22-8
InChIKey: UMZABZFEUXFEEZ-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H17-O-S.C7-H7-O3-S

Molecular Weight

  • 332.4826
 
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Names and Synonyms

  • Sulfonium, dimethyl((tetrahydro-2H-pyran-2-yl)methyl)-, salt with 4- methylbenzenesulfonic acid (1:1)

Registry Numbers

CAS Registry Number

  • 80519-22-8

System Generated Number

  • 0080519228

Molecular Formulas

Molecular Formula

  • C8-H17-O-S.C7-H7-O3-S

Molecular Formula Fragments

  • C7-H7-O3-S
  • C8-H17-O-S
  • COMPONENT

Structure Descriptors

InChI

1S/C8H17OS.C7H8O3S/c1-10(2)7-8-5-3-4-6-9-8;1-6-2-4-7(5-3-6)11(8,9)10/h8H,3-7H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1

InChIKey

UMZABZFEUXFEEZ-UHFFFAOYSA-M

Smiles

Cc1ccc(cc1)S(=O)(=O)[O-].C[S+](C)CC1CCCCO1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 135mg/kg (135mg/kg)   United States Patent Document. Vol. #4581372,