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Substance Name: Thiazole, 5-(2-chloroethyl)-2,4-dimethyl-, 1,2-ethanedisulfonate (2:1)
RN: 31805-51-3
InChIKey: SOLPJXUVTOFGIN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H10-Cl-N-S.1/2C2-H6-O6-S2

Molecular Weight

  • 541.559
 
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Names and Synonyms

Synonyms

  • 1,2-Ethanedisulfonic acid, compd. with 5-(2-chloroethyl)-2,4-dimethylthiazole (1:2)
  • 5-(2-Chloroethyl)-2,4-dimethylthiazole 1,2-ethanedisulfonate (2:1)

Systematic Name

  • Thiazole, 5-(2-chloroethyl)-2,4-dimethyl-, 1,2-ethanedisulfonate (2:1)

Registry Numbers

CAS Registry Number

  • 31805-51-3

System Generated Number

  • 0031805513

Molecular Formulas

Molecular Formula

  • C7-H10-Cl-N-S.1/2C2-H6-O6-S2

Molecular Formula Fragments

  • C2-H6-O6-S2
  • C7-H10-Cl-N-S
  • COMPONENT

Structure Descriptors

InChI

1S/2C7H10ClNS.C2H6O6S2/c2*1-5-7(3-4-8)10-6(2)9-5;3-9(4,5)1-2-10(6,7)8/h2*3-4H2,1-2H3;1-2H2,(H,3,4,5)(H,6,7,8)

InChIKey

SOLPJXUVTOFGIN-UHFFFAOYSA-N

Smiles

s1c(nc(c1CCCl)C)C.C(CS(=O)(=O)O)S(=O)(=O)O.s1c(CCCl)c(C)nc1C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 176mg/kg (176mg/kg)   Acta Pharmaceutica Suecica. Vol. 8, Pg. 49, 1971.