BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

4-methylsulfanylphenol

4-methylsulfanylphenol bmse012301 - Data

4-methylsulfanylphenol synonyms

Wikipedia:

Graphical representations:

4-methylsulfanylphenol

View large 3D structure

Molecular Formula: C7H8OS

Natural Isotopic Abundance Mass: 140.20282

Mono-Isotopic Molecular Masses:

  • C12N14: 140.029585876
  • C13N14: 147.05306974200002
  • C12N15: 140.029585876
  • C13N15: 147.05306974200002

InChI string: InChI=1S/C7H8OS/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3

IUPAC: b'4-methylsulfanylphenol'

EU-OPENSCREEN: EOS103044

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)