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Substance Name: Acetic acid, ((2,4-dinitrophenyl)thio)-, compd. with 2-aminoethanol (1:1)
RN: 105892-20-4
InChIKey: MNEKBQKPLOECLB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H6-N2-O6-S.C2-H7-N-O

Molecular Weight

  • 319.293
 
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Names and Synonyms

Synonyms

  • ((2,4-Dinitrophenyl)thio)acetic acid 2-aminoethanol (1:1)
  • Mono(2-hydroxyethyl)ammonium 2,4-dinitrophenylthioacetate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 105892-20-4

System Generated Number

  • 0105892204

Molecular Formulas

Molecular Formula

  • C8-H6-N2-O6-S.C2-H7-N-O

Molecular Formula Fragments

  • C2-H7-N-O
  • C8-H6-N2-O6-S
  • COMPONENT

Structure Descriptors

InChI

1S/C8H6N2O6S.C2H7NO/c11-8(12)4-17-7-2-1-5(9(13)14)3-6(7)10(15)16;3-1-2-4/h1-3H,4H2,(H,11,12);4H,1-3H2

InChIKey

MNEKBQKPLOECLB-UHFFFAOYSA-N

Smiles

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

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.