BMRB

Biological Magnetic Resonance Data Bank


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

(3-chlorothiophen-2-yl)methanol

(3-chlorothiophen-2-yl)methanol bmse012568 - Data

(3-chlorothiophen-2-yl)methanol synonyms

Wikipedia:

Graphical representations:

(3-chlorothiophen-2-yl)methanol

View large 3D structure

Molecular Formula: C5H5ClOS

Natural Isotopic Abundance Mass: 148.6106

Mono-Isotopic Molecular Masses:

  • C12N14: 147.97496346
  • C13N14: 152.99173765
  • C12N15: 147.97496346
  • C13N15: 152.99173765

InChI string: InChI=1S/C5H5ClOS/c6-4-1-2-8-5(4)3-7/h1-2,7H,3H2

IUPAC: b'(3-chlorothiophen-2-yl)methanol'

EU-OPENSCREEN: EOS103363

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)