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Substance Name: 2-Propenethioic acid, 3-(1,3-benzodioxol-5-yl)-, O-ethyl ester
RN: 117666-87-2
InChIKey: SQYGWABCYSWYMD-GQCTYLIASA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H12-O3-S

Molecular Weight

  • 236.2898
 
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Names and Synonyms

Synonym

  • 3-(1,3-Benzodioxol-5-yl)-2-propenethioic acid O-ethyl ester

Systematic Name

  • 2-Propenethioic acid, 3-(1,3-benzodioxol-5-yl)-, O-ethyl ester

Registry Numbers

CAS Registry Number

  • 117666-87-2

System Generated Number

  • 0117666872

Structure Descriptors

InChI

1S/C12H12O3S/c1-2-13-12(16)6-4-9-3-5-10-11(7-9)15-8-14-10/h3-7H,2,8H2,1H3/b6-4+

InChIKey

SQYGWABCYSWYMD-GQCTYLIASA-N

Smiles

CCOC(=S)/C=C/c1ccc2c(c1)OCO2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 940mg/kg (940mg/kg)   Farmaco, Edizione Scientifica. Vol. 43, Pg. 551, 1988.