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Thieno[3,2-d]isothiazol-4-amine, 5-bromo-3-phenyl-
SpectraBase Compound ID DDEnLz5YSlM
InChI InChI=1S/C11H7BrN2S2/c12-10-8(13)7-9(14-16-11(7)15-10)6-4-2-1-3-5-6/h1-5H,13H2
InChIKey VPCCBBBMUAYPQE-UHFFFAOYSA-N
Mol Weight 311.22 g/mol
Molecular Formula C11H7BrN2S2
Exact Mass 309.923404 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ICM2gtLluMd
Name Thieno[3,2-d]isothiazol-4-amine, 5-bromo-3-phenyl-
CAS Registry Number 126938-90-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H7BrN2S2
InChI InChI=1S/C11H7BrN2S2/c12-10-8(13)7-9(14-16-11(7)15-10)6-4-2-1-3-5-6/h1-5H,13H2
InChIKey VPCCBBBMUAYPQE-UHFFFAOYSA-N
Molecular Weight 311.215 g/mol
SMILES Nc1c(Br)sc2c1c(ns2)-c1ccccc1
SPLASH splash10-03di-2209000000-f98c56c465772ea31206
Source of Spectrum B-42-1301-3
Synonyms 4-Amino-5-bromo-3-phenylthieno[3,2-d]isothiazole 5-Bromo-3-phenylthieno[3,2-d]isothiazol-4-amine 5-Bromo-3-phenylthieno[3,2-d]isothiazol-4-ylamine
Wiley ID 1311017