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Substance Name: Ethanethiol, 2-(2-(3-methyl-2-thienyl)propyl)amino-, hydrogen sulfate (ester)
RN: 67226-92-0
InChIKey: DQEOGSAYUAGDMU-VIFPVBQESA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H17-N-O3-S3

Molecular Weight

  • 295.4463
 
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Names and Synonyms

Synonym

  • 2-((2-(3-Methyl-2-thienyl)propyl)amino)ethyanethiol, hydrogen sulfate (ester)

Systematic Name

  • Ethanethiol, 2-(2-(3-methyl-2-thienyl)propyl)amino-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 67226-92-0

System Generated Number

  • 0067226920

Structure Descriptors

InChI

1S/C10H17NO3S3/c1-8-3-6-16-10(8)9(2)7-11-4-5-14-17(12,13)15/h3,6,9,11H,4-5,7H2,1-2H3,(H,12,13,15)/t9-/m0/s1

InChIKey

DQEOGSAYUAGDMU-VIFPVBQESA-N

Smiles

Cc1ccsc1[C@@H](C)CNCCOS(=O)(=S)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 75mg/kg (75mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 968, 1972.