Dataset

X-ray diffraction (XRD)

dataset for X-ray diffraction (XRD)

Chemical Information

molecular Image
InChI InChI=1S/C18H18OS2/c1-19-14-7-9-16(10-8-14)21-18-11-17(12-18,13-18)20-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3
SMILES COc1ccc(cc1)SC12CC(C1)(C2)Sc1ccccc1
InChI Key MMODRWTWUUODQN-UHFFFAOYSA-N
Molecular Formula C18H18OS2
Exact Mass 314.465 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MMODRWTWUUODQN-UHFFFAOYSA-N/Crystal-Structure
License URL
Source https://www.chemotion-repository.net/inchikey/MMODRWTWUUODQN-UHFFFAOYSA-N/Crystal-Structure
Version
Author Martin Nieger
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-04-30
Related Molecule
  • 1-(4-methoxyphenyl)sulfanyl-3-phenylsulfanylbicyclo[1.1.1]pentane
    • Field Value
    Measurement Technique X-ray diffraction
    Measurement Variables
    Data-Source Molecule ID Data-Source
    137333329 PubChem
    The data in this table is sourced from UniChem at EBI.