Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 8-Methylthiocaffeine
RN: 6287-54-3
UNII: 16OKE808X6
InChIKey: BWSVUTTVMCSWHS-UHFFFAOYSA-N

Molecular Formula

  • C9-H12-N4-O2-S

Molecular Weight

  • 240.2858
 
* 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

Name of Substance

  • 8-Methylthiocaffeine

Synonyms

  • 8-Methylthiocaffeine
  • NSC 8807
  • UNII-16OKE808X6

Systematic Name

  • Caffeine, 8-(methylthio)- (8CI)

Registry Numbers

CAS Registry Number

  • 6287-54-3

FDA UNII

  • 16OKE808X6

System Generated Number

  • 0006287543

Structure Descriptors

InChI

1S/C9H12N4O2S/c1-11-5-6(10-8(11)16-4)12(2)9(15)13(3)7(5)14/h1-4H3

InChIKey

BWSVUTTVMCSWHS-UHFFFAOYSA-N

Smiles

Cn1c2c(nc1SC)n(c(=O)n(c2=O)C)C