Dataset

N-Cyclohexyl-2-benzothiazolesulfenamide

This MassBank record with Accession MSBNK-Eawag-EQ00388905 contains the MS2 mass spectrum of N-Cyclohexyl-2-benzothiazolesulfenamide with the InChIkey DEQZTKGFXNUBJL-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C13H16N2S2/c1-2-6-10(7-3-1)15-17-13-14-11-8-4-5-9-12(11)16-13/h4-5,8-10,15H,1-3,6-7H2
SMILES C1CCC(CC1)NSC2=NC3=CC=CC=C3S2
InChI Key DEQZTKGFXNUBJL-UHFFFAOYSA-N
Molecular Formula C13H16N2S2
Exact Mass 264.075 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ00388905
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:26:28.111254
MetadataModified 2025-02-09T09:26:28.329153
MetadataPublished 2024-06-14
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1591074 ChEMBL
ZINC000001680410 ZINC
DTXSID5020360 EPA CompTox Dashboard
MCULE-6406245882 Mcule
J3.562I Nikkaji
N-CYCLOHEXYL-2-BENZOTHIAZOSULFENAMIDE rxnorm
DB14200 DrugBank
1014185 eMolecules
108251-59-8 ACToR
7232 PubChem
PD013997 ProbesDrugs
UCA53G94EV FDA SRS
95-33-0 ACToR
SCHEMBL80270 SureChEMBL
16193806 PubChem: Thomson Pharma
CB9360750 ChemicalBook
20201452 NMRShiftDB
The data in this table is sourced from UniChem at EBI.