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Substance Name: Propanethioamide, 3-((2-(phosphonothio)ethyl)amino)-, lithium salt, hydrate, (1:1:3)
RN: 127914-09-4
InChIKey: HCWATVCESPCRJB-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C5-H12-N2-O3-P-S2.Li.3H2-O

Molecular Weight

  • 250.2078
 
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Names and Synonyms

Synonyms

  • (1:1:3)3-((2-(Phosphonothio)ethyl)amino)propanethioamide lithium salt hydrate
  • S-(2-((2'-Thiocarbamoylethyl)amino)ethyl) lithium hydrogen phosphorothioate trihydrate

Systematic Name

  • Propanethioamide, 3-((2-(phosphonothio)ethyl)amino)-, lithium salt, hydrate, (1:1:3)

Registry Numbers

CAS Registry Number

  • 127914-09-4

System Generated Number

  • 0127914094

Molecular Formulas

Molecular Formula

  • C5-H12-N2-O3-P-S2.Li.3H2-O

Molecular Formula Fragments

  • C5-H12-N2-O3-P-S2
  • COMPONENT
  • H2-O
  • Li

Structure Descriptors

InChI

1S/C5H13N2O3PS2.Li/c6-5(12)1-2-7-3-4-13-11(8,9)10;/h7H,1-4H2,(H2,6,12)(H2,8,9,10);/q;+1/p-1

InChIKey

HCWATVCESPCRJB-UHFFFAOYSA-M

Smiles

[Li+].C(CNCCSP(=O)(O)[O-])C(=S)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 300mg/kg (300mg/kg)   Journal of Medicinal Chemistry. Vol. 33, Pg. 2501, 1990.