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Substance Name: Acetic acid, ((2,4-dichlorophenyl)thio)-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1)
RN: 105892-14-6
InChIKey: SMDAAINTKJEVPP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H6-Cl2-O2-S.C6-H15-N-O3

Molecular Weight

  • 386.294
 
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Names and Synonyms

Synonym

  • ((2,4-Dichlorophenyl)thio)acetic acid 2,2',2''-nitrilotris(ethanol) (1:1)

Systematic Name

  • Acetic acid, ((2,4-dichlorophenyl)thio)-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1)

Registry Numbers

CAS Registry Number

  • 105892-14-6

System Generated Number

  • 0105892146

Molecular Formulas

Molecular Formula

  • C8-H6-Cl2-O2-S.C6-H15-N-O3

Molecular Formula Fragments

  • C6-H15-N-O3
  • C8-H6-Cl2-O2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C8H6Cl2O2S.C6H15NO3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;8-4-1-7(2-5-9)3-6-10/h1-3H,4H2,(H,11,12);8-10H,1-6H2

InChIKey

SMDAAINTKJEVPP-UHFFFAOYSA-N

Smiles

c1(c(cc(Cl)cc1)Cl)SCC(O)=O.N(CCO)(CCO)CCO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 3gm/kg (3000mg/kg)   Pharmaceutical Chemistry Journal Vol. 20, Pg. 180, 1986.