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Substance Name: Acetic acid, oxo((phenylthioxomethyl)amino)-, 1,1-dimethylethyl ester
RN: 178408-14-5
InChIKey: WSBQIMJLGIUYKP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H15-N-O3-S

Molecular Weight

  • 265.3315
 
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Names and Synonyms

Synonyms

  • 1,1-Dimethylethyl oxo((phenylthioxomethyl)amino)acetate
  • tert-Butyl ester of N-thiobenzoyloxalamic acid

Systematic Name

  • Acetic acid, oxo((phenylthioxomethyl)amino)-, 1,1-dimethylethyl ester

Registry Numbers

CAS Registry Number

  • 178408-14-5

System Generated Number

  • 0178408145

Structure Descriptors

InChI

1S/C13H15NO3S/c1-13(2,3)17-12(16)10(15)14-11(18)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,14,15,18)

InChIKey

WSBQIMJLGIUYKP-UHFFFAOYSA-N

Smiles

CC(C)(C)OC(=O)C(=O)NC(=S)c1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 975mg/kg (975mg/kg)   Pharmaceutical Chemistry Journal Vol. 30, Pg. 181, 1996.