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Substance Name: Ethanethioic acid, S-(2-(2-((2-methylphenoxy)methyl)-3-thiazolidinyl)-2-oxoethyl) ester
RN: 103195-90-0
InChIKey: QBSXDIAKZBQPPQ-HNNXBMFYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H19-N-O3-S2

Molecular Weight

  • 325.4511
 
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Names and Synonyms

Synonym

  • S-(2-(2-((2-Methylphenoxy)methyl)-3-thiazolidinyl)-2-oxoethyl) ethanethioate

Systematic Name

  • Ethanethioic acid, S-(2-(2-((2-methylphenoxy)methyl)-3-thiazolidinyl)-2-oxoethyl) ester

Registry Numbers

CAS Registry Number

  • 103195-90-0

System Generated Number

  • 0103195900

Structure Descriptors

InChI

1S/C15H19NO3S2/c1-11-5-3-4-6-13(11)19-10-15-16(7-8-21-15)14(17)9-18-12(2)20/h3-6,15H,7-10H2,1-2H3/t15-/m0/s1

InChIKey

QBSXDIAKZBQPPQ-HNNXBMFYSA-N

Smiles

Cc1ccccc1OC[C@H]2N(CCS2)C(=O)COC(=S)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 38, Pg. 508, 1995.