Dataset

4,4`-Thiodianiline

This MassBank record with Accession MSBNK-LCSB-LU093601 contains the MS2 mass spectrum of 4,4`-Thiodianiline with the InChIkey ICNFHJVPAJKPHW-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H12N2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,13-14H2
SMILES NC1=CC=C(SC2=CC=C(N)C=C2)C=C1
InChI Key ICNFHJVPAJKPHW-UHFFFAOYSA-N
Molecular Formula C12H12N2S
Exact Mass 216.072 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-LCSB-LU093601
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T18:28:04.212547
MetadataModified 2025-02-09T14:36:53.365951
MetadataPublished 2020-08-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
8765 PubChem
14770027 PubChem: Thomson Pharma
139-65-1 ACToR
SCHEMBL49068 SureChEMBL
6GGU990BQF FDA SRS
498054 eMolecules
CB0230825 ChemicalBook
20198905 NMRShiftDB
MCULE-8747149875 Mcule
CHEMBL348856 ChEMBL
C19303 KEGG Ligand
DTXSID9021344 EPA CompTox Dashboard
82374 ChEBI
DAPHSD CCDC
J5.645F Nikkaji
ZINC000000225617 ZINC
The data in this table is sourced from UniChem at EBI.