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Substance Name: Acetic acid, thio-, S-2,3-epithiopropyl ester
RN: 25435-29-4
InChIKey: RYXXPKBZMAJJFI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C5-H8-O-S2

Molecular Weight

  • 148.249
 
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Names and Synonyms

Synonyms

  • 5-17-03-00054 (Beilstein Handbook Reference)
  • BRL 459
  • BRN 0107721
  • Ethanethioic acid, S-(thiiranylmethyl) ester
  • Thioacetic acid S-2,3-epithiopropyl ester

Systematic Name

  • Acetic acid, thio-, S-2,3-epithiopropyl ester

Registry Numbers

CAS Registry Number

  • 25435-29-4

System Generated Number

  • 0025435294

Structure Descriptors

InChI

1S/C5H8OS2/c1-4(6)7-2-5-3-8-5/h5H,2-3H2,1H3

InChIKey

RYXXPKBZMAJJFI-UHFFFAOYSA-N

Smiles

C1[C@@H](S1)CSC(C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 110mg/kg (110mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 15, Pg. 485, 1960.
mouse LD50 subcutaneous 45mg/kg (45mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 15, Pg. 485, 1960.