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Substance Name: Ethanethiol, 2-(cyclopropylmethyl)amino-, hydrogen sulfate (ester)
RN: 27976-08-5
InChIKey: UMSBICJLRLBRSQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C6-H13-N-O3-S2

Molecular Weight

  • 211.305
 
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Names and Synonyms

Synonyms

  • 2-(Cyclopropylmethyl)aminoethanethiol hydrogen sulfate (ester)
  • BRN 2834405

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 27976-08-5

System Generated Number

  • 0027976085

Structure Descriptors

InChI

1S/C6H13NO3S2/c8-12(9,10)11-4-3-7-5-6-1-2-6/h6-7H,1-5H2,(H,8,9,10)

InChIKey

UMSBICJLRLBRSQ-UHFFFAOYSA-N

Smiles

S(=O)(=O)(SCCNCC1CC1)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 251, 1970.