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3-(4-Bromobenzoyl)-1,3-benzothiazole-2(3H)-thione

View entire compound with spectra: 1 MS (GC)

3-(4-Bromobenzoyl)-1,3-benzothiazole-2(3H)-thione
SpectraBase Compound ID J6GP105WmGX
InChI InChI=1S/C14H8BrNOS2/c15-10-7-5-9(6-8-10)13(17)16-11-3-1-2-4-12(11)19-14(16)18/h1-8H
InChIKey QJROUNIMICUHQP-UHFFFAOYSA-N
Mol Weight 350.25 g/mol
Molecular Formula C14H8BrNOS2
Exact Mass 348.923069 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G9VVIceAINY
Name 3-(4-Bromobenzoyl)-1,3-benzothiazole-2(3H)-thione
Alternate Name(s) (4-bromophenyl)-(2-sulfanylidene-1,3-benzothiazol-3-yl)methanone (4-bromophenyl)-(2-thioxo-1,3-benzothiazol-3-yl)methanone Benzothiazole-2-(3H)-thione, 3-(4-bromobenzoyl)-
CAS Registry Number 200626-50-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H8BrNOS2
InChI InChI=1S/C14H8BrNOS2/c15-10-7-5-9(6-8-10)13(17)16-11-3-1-2-4-12(11)19-14(16)18/h1-8H
InChIKey QJROUNIMICUHQP-UHFFFAOYSA-N
Molecular Weight 350.248 g/mol
SMILES c1ccc2N(C(Sc2c1)=S)C(c1ccc(cc1)Br)=O
SPLASH splash10-053i-4900000000-2c219ad887f831cec8c2
Source of Spectrum AD-0-2532-0
Wiley ID 1421189