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5-Acetyl-4-amino-3-(2-N-piperidinylethylthio)thieno[3,2-D]isothiazole
SpectraBase Compound ID Fb5fU7iUpUW
InChI InChI=1S/C14H19N3OS3/c1-9(18)12-11(15)10-13(16-21-14(10)20-12)19-8-7-17-5-3-2-4-6-17/h2-8,15H2,1H3
InChIKey XNQDNOPXZMFEGN-UHFFFAOYSA-N
Mol Weight 341.51 g/mol
Molecular Formula C14H19N3OS3
Exact Mass 341.069026 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ln2cBCzOFyb
Name 5-Acetyl-4-amino-3-(2-N-piperidinylethylthio)thieno[3,2-D]isothiazole
CAS Registry Number 97090-76-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H19N3OS3
InChI InChI=1S/C14H19N3OS3/c1-9(18)12-11(15)10-13(16-21-14(10)20-12)19-8-7-17-5-3-2-4-6-17/h2-8,15H2,1H3
InChIKey XNQDNOPXZMFEGN-UHFFFAOYSA-N
Molecular Weight 341.506 g/mol
SMILES Nc1c2c(sc1C(=O)C)snc2SCCN1CCCCC1
SPLASH splash10-0005-9100000000-6aff33f8efb2a8e23a07
Source of Spectrum W5-1989-37561-27975
Synonyms 1-(4-amino-3-{[2-(1-piperidinyl)ethyl]sulfanyl}thieno[3,2-d]isothiazol-5-yl)ethanone
Wiley ID 1335749