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Substance Name: Ethanethiol, 2-decylamino-, hydrogen sulfate (ester)
RN: 3752-51-0
InChIKey: BWZPDRUAQQXBIL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H27-N-O3-S2

Molecular Weight

  • 297.481
 
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Names and Synonyms

Synonyms

  • 2-(1-Decylamino)ethanethiosulfuric acid
  • 2-(n-Decylamino)-ethanethiosulfuric acid
  • 2-Decylaminoethanethiol hydrogen sulfate (ester)
  • BRN 2370356
  • Ethanethiol, 2-(decylamino)-, hydrogen sulfate (ester)
  • n-Decylaminoethanethiosulfuric acid
  • NSC 320931
  • WR 1607

Systematic Names

  • Ethanethiol, 2-decylamino-, hydrogen sulfate (ester)
  • Thiosulfuric acid (H2S2O3), S-(2-(decylamino)ethyl) ester (9CI)
  • Thiosulfuric acid(H2S2O3), S-(2-(decylamino)ethyl) ester (9CI)
  • Thiosulfuric acid, S-(2-(decylamino)ethyl) ester (8CI)

Registry Numbers

CAS Registry Number

  • 3752-51-0

System Generated Number

  • 0003752510

Structure Descriptors

InChI

1S/C12H27NO3S2/c1-2-3-4-5-6-7-8-9-10-13-11-12-17-18(14,15)16/h13H,2-12H2,1H3,(H,14,15,16)

InChIKey

BWZPDRUAQQXBIL-UHFFFAOYSA-N

Smiles

S(=O)(=O)(SCCNCCCCCCCCCC)O

Toxicity

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