Dataset

X-ray diffraction (XRD)

dataset for X-ray diffraction (XRD)

Chemical Information

molecular Image
InChI InChI=1S/C24H26S2/c1-3-7-19(8-4-1)11-25-23-13-21(14-23,15-23)22-16-24(17-22,18-22)26-12-20-9-5-2-6-10-20/h1-10H,11-18H2
SMILES c1ccc(cc1)CSC12CC(C1)(C2)C12CC(C1)(C2)SCc1ccccc1
InChI Key IPSCQEYBZPKANH-UHFFFAOYSA-N
Molecular Formula C24H26S2
Exact Mass 378.593 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IPSCQEYBZPKANH-UHFFFAOYSA-N/Crystall-Structure
License URL
Source https://www.chemotion-repository.net/inchikey/IPSCQEYBZPKANH-UHFFFAOYSA-N/Crystall-Structure
Version
Author Olaf Fuhr
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-02-22
Related Molecule
  • 1-benzylsulfanyl-3-(3-benzylsulfanyl-1-bicyclo[1.1.1]pentanyl)bicyclo[1.1.1]pentane
    • Field Value
    Measurement Technique X-ray diffraction
    Measurement Variables
    Data-Source Molecule ID Data-Source
    85617790 PubChem
    The data in this table is sourced from UniChem at EBI.