Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Theophylline, 8-butylthio-2-thio-
RN: 4989-74-6
InChIKey: NAOMXTHKMDASIF-UHFFFAOYSA-N

Molecular Formula

  • C11-H16-N4-O-S2

Molecular Weight

  • 284.406
 
* 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

  • 2-Thio-8-n-butylthiotheophylline
  • BRN 2990934
  • NSC 95884
  • Theophylline, 8-butylthio-2-thio-
  • Uric acid, 8-8-butylthio-1,3-dimethyl-2-thio-

Systematic Name

  • Theophylline, 8-butylthio-2-thio-

Registry Numbers

CAS Registry Number

  • 4989-74-6

System Generated Number

  • 0004989746

Structure Descriptors

InChI

1S/C11H16N4OS2/c1-4-5-6-18-10-12-7-8(13-10)14(2)11(17)15(3)9(7)16/h4-6H2,1-3H3,(H,12,13)

InChIKey

NAOMXTHKMDASIF-UHFFFAOYSA-N

Smiles

c12c(c(n(C)c(n1C)=S)=O)nc([nH]2)SCCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100mg/kg (100mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04428,