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Substance Name: Ethanethiol, 2-(2,2-dimethylpropyl)amino-, hydrogen sulfate (ester)
RN: 27976-09-6
InChIKey: BFQXGKXWUIMFSH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H17-N-O3-S2

Molecular Weight

  • 227.347
 
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Names and Synonyms

Synonyms

  • 2-(2,2-Dimethylpropyl)aminoethanethiol hydrogen sulfate (ester)
  • BRN 2360569

Systematic Name

  • Ethanethiol, 2-(2,2-dimethylpropyl)amino-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 27976-09-6

System Generated Number

  • 0027976096

Structure Descriptors

InChI

1S/C7H17NO3S2/c1-7(2,3)6-8-4-5-12-13(9,10)11/h8H,4-6H2,1-3H3,(H,9,10,11)

InChIKey

BFQXGKXWUIMFSH-UHFFFAOYSA-N

Smiles

S(=O)(=O)(SCCNCC(C)(C)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 475mg/kg (475mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 251, 1970.