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Substance Name: Phosphorothioic acid, S-(2-((2-methylaminoethyl)amino)ethyl) ester, hydrate (2:2:5)
RN: 63980-93-8
InChIKey: FBDVPECXXASKAO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C5-H15-N2-O3-P-S.5/2H2-O

Molecular Weight

  • 518.523
 
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Names and Synonyms

Synonyms

  • Ethanethiol, 2-((2-methylaminoethyl)amino)-, dihydrogen phosphate (ester) hydrate (2:2:5)
  • S-2-((2-Methylaminoethyl)amino)ethyl dihydrogen phosphorothioate hydrate (2:2:5)

Systematic Name

  • Phosphorothioic acid, S-(2-((2-methylaminoethyl)amino)ethyl) ester, hydrate (2:2:5)

Registry Numbers

CAS Registry Number

  • 63980-93-8

System Generated Number

  • 0063980938

Molecular Formulas

Molecular Formula

  • C5-H15-N2-O3-P-S.5/2H2-O

Molecular Formula Fragments

  • C5-H15-N2-O3-P-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C5H15N2O3PS.5H2O/c2*1-6-2-3-7-4-5-12-11(8,9)10;;;;;/h2*6-7H,2-5H2,1H3,(H2,8,9,10);5*1H2

InChIKey

FBDVPECXXASKAO-UHFFFAOYSA-N

Smiles

P(=O)(SCCNCCNC)(O)O.O.P(=O)(SCCNCCNC)(O)O.O.O.O.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 900mg/kg (900mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 244, 1969.