5-chloro-3-[2-(5-chloro-2-methylthiophen-3-yl)cyclopenten-1-yl]-2-methylthiophene

This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367]. The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]: InChI descriptor[cheminf_000113]: InChI=1S/C15H14Cl2S2/c1-8-12(6-14(16)18-8)10-4-3-5-11(10)13-7-15(17)19-9(13)2/h6-7H,3-5H2,1-2H3, and canonical SMILES descriptor[cheminf_000007]: Clc1sc(c(c1)C1=C(CCC1)c1cc(sc1C)Cl)C, and by the IUPAC name[cheminf_000107]: 5-chloro-3-[2-(5-chloro-2-methylthiophen-3-yl)cyclopenten-1-yl]-2-methylthiophene. The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]: The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-29773 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]: Melting point descriptor[CHEMINF_000256]: Boiling point descriptor[CHEMINF_000257]: Refractive index descriptor[CHEMINF_000253]: The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]: CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR) CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR) CHMO:0000480 | electron ionisation mass spectrometry (EI-MS) CHMO:0000498 | high-resolution mass spectrometry (HRMS) The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: ComP-20041 Used ontologies: CHEBI - Chemical Entities of Biological Interest CHEMINF - chemical information ontology (information entities about chemical entities) CHMO - Chemical Methods Ontology OBI - Ontology for Biomedical Investigations