Dataset

5-ETHOXY-3-TRICHLOROMETHYL-1,2,4-THIADIAZOLE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP010423 contains the MS mass spectrum of 5-ETHOXY-3-TRICHLOROMETHYL-1,2,4-THIADIAZOLE with the InChIkey KQTVWCSONPJJPE-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3
SMILES CCOc(s1)nc(n1)C(Cl)(Cl)Cl
InChI Key KQTVWCSONPJJPE-UHFFFAOYSA-N
Molecular Formula C5H5Cl3N2OS
Exact Mass 245.919 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP010423
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:55:39.074686
MetadataModified 2024-01-11T15:55:39.256444
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C18460 KEGG Ligand
499788 eMolecules
17432 PubChem
24261529 PubChem: Thomson Pharma
81761 ChEBI
2593-15-9 ACToR
9F8237I875 FDA SRS
J3.391J Nikkaji
CHEMBL3183350 ChEMBL
HMDB0252123 Human Metabolome Database
SCHEMBL20227 SureChEMBL
DTXSID3032547 EPA CompTox Dashboard
ZINC000001605809 ZINC
CB0145031 ChemicalBook
The data in this table is sourced from UniChem at EBI.