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Substance Name: 1,3-Oxathiolane, 5-(chloromethyl)-2,2-dimethyl-
RN: 42576-20-5
InChIKey: AOCXFMADTQAYDD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C6-H11-Cl-O-S

Molecular Weight

  • 166.671
 
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Names and Synonyms

Synonyms

  • 4-19-00-00071 (Beilstein Handbook Reference)
  • 5-(Chloromethyl)-2,2-dimethyl-1,3-oxathiolane
  • BRN 0104510

Systematic Name

  • 1,3-Oxathiolane, 5-(chloromethyl)-2,2-dimethyl-

Registry Numbers

CAS Registry Number

  • 42576-20-5

System Generated Number

  • 0042576205

Structure Descriptors

InChI

1S/C6H11ClOS/c1-6(2)8-5(3-7)4-9-6/h5H,3-4H2,1-2H3

InChIKey

AOCXFMADTQAYDD-UHFFFAOYSA-N

Smiles

O1[C@@H](CSC1(C)C)CCl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 700mg/kg (700mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 17, Pg. 235, 1982.