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Substance Name: Carbamimidothioic acid, 2-propenyl-, ethyl ester, monohydriodide (9CI)
RN: 111915-74-3
InChIKey: PGEQGGNCZZIUQO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C6-H12-N2-S.H-I

Molecular Weight

  • 272.1487
 
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Names and Synonyms

Synonyms

  • 1-Allyl-2-ethyl-2-thiopseudourea hydriodide
  • 2-Propenylcarbamimidothioic acid ethyl ester monohydriodide
  • N-Allyl-S-ethylisothiuronium iodide

Systematic Names

  • Carbamimidothioic acid, 2-propenyl-, ethyl ester, monohydriodide (9CI)
  • Pseudourea, 1-allyl-2-ethyl-2-thio-, hydriodide

Registry Numbers

CAS Registry Number

  • 111915-74-3

System Generated Number

  • 0111915743

Molecular Formulas

Molecular Formula

  • C6-H12-N2-S.H-I

Molecular Formula Fragments

  • C6-H12-N2-S
  • COMPONENT
  • H-I

Structure Descriptors

InChI

1S/C6H12N2S.HI/c1-3-5-8-6(7)9-4-2;/h3H,1,4-5H2,2H3,(H2,7,8);1H

InChIKey

PGEQGGNCZZIUQO-UHFFFAOYSA-N

Smiles

CCSC(=N)NCC=C.I

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   Pharmaceutical Chemistry Journal Vol. 21, Pg. 210, 1987.