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Substance Name: Acetic acid, ((2,4-dinitrophenyl)thio)-, compd. with 2,2'-iminobisethanol (1:1)
RN: 105892-21-5
InChIKey: JDRZWZDXRKISJZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H6-N2-O6-S.C4-H11-N-O2

Molecular Weight

  • 363.345
 
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Names and Synonyms

Synonyms

  • ((2,4-Dinitrophenyl)thio)acetic acid 2,2'-iminobisethanol (1:1)
  • Bis(2-hydroxyethyl)ammonium 2,4-dinitrophenylthioacetate

Systematic Name

  • Acetic acid, ((2,4-dinitrophenyl)thio)-, compd. with 2,2'-iminobisethanol (1:1)

Registry Numbers

CAS Registry Number

  • 105892-21-5

System Generated Number

  • 0105892215

Molecular Formulas

Molecular Formula

  • C8-H6-N2-O6-S.C4-H11-N-O2

Molecular Formula Fragments

  • C4-H11-N-O2
  • C8-H6-N2-O6-S
  • COMPONENT

Structure Descriptors

InChI

1S/C8H6N2O6S.C4H11NO2/c11-8(12)4-17-7-2-1-5(9(13)14)3-6(7)10(15)16;6-3-1-5-2-4-7/h1-3H,4H2,(H,11,12);5-7H,1-4H2

InChIKey

JDRZWZDXRKISJZ-UHFFFAOYSA-N

Smiles

c1(c(ccc([N+](=O)[O-])c1)SCC(O)=O)[N+](=O)[O-].N(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.