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Substance Name: 1,3-Propanedithiol, 2-methyl-2-propyl-, dithiocarbamate
RN: 13044-77-4
InChIKey: BCAKEGWQKUPGAT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H18-N2-O2-S2

Molecular Weight

  • 250.385
 
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Names and Synonyms

Synonyms

  • 2-Methyl-2-propyl-1,3-propanedithiol dicarbamate
  • BRN 1911865
  • Carbamic acid, thio-, S,S'-(2-methyl-2-propyltrimethylene) ester
  • Thiocarbamic acid, S,S'-(2-methyl-2-propyltrimethylene) ester

Systematic Name

  • 1,3-Propanedithiol, 2-methyl-2-propyl-, dithiocarbamate

Registry Numbers

CAS Registry Number

  • 13044-77-4

System Generated Number

  • 0013044774

Structure Descriptors

InChI

1S/C9H18N2O2S2/c1-5(2)7(15-9(11)13)6(3)4-14-8(10)12/h5-7H,4H2,1-3H3,(H2,10,12)(H2,11,13)

InChIKey

BCAKEGWQKUPGAT-UHFFFAOYSA-N

Smiles

C([C@@H]([C@@H](C(C)C)SC(N)=O)C)SC(N)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 410mg/kg (410mg/kg)   Journal of Medicinal Chemistry. Vol. 7, Pg. 174, 1964.