Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Carbamodithioic acid, (4,4-dimethyl-1,3-dioxopentyl)-, phenylmethyl ester
RN: 178408-12-3
InChIKey: XMAZPOZDXQGUAZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H19-N-O2-S2

Molecular Weight

  • 309.4521
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • Phenylmethyl (4,4-dimethyl-1,3-dioxopentyl)carbamodithioate
  • tert-Butyl ester of N-para-benzyldithioformylmalonamide

Systematic Name

  • Carbamodithioic acid, (4,4-dimethyl-1,3-dioxopentyl)-, phenylmethyl ester

Registry Numbers

CAS Registry Number

  • 178408-12-3

System Generated Number

  • 0178408123

Structure Descriptors

InChI

1S/C15H19NO2S2/c1-15(2,3)12(17)9-13(18)16-14(19)20-10-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,16,18,19)

InChIKey

XMAZPOZDXQGUAZ-UHFFFAOYSA-N

Smiles

CC(C)(C)C(=O)CC(=O)NC(=S)SCc1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 868mg/kg (868mg/kg)   Pharmaceutical Chemistry Journal Vol. 30, Pg. 181, 1996.