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Benzenecarbothioamide, N-[3-(methyl-D3)-2(3H)-benzothiazolylidene]-
SpectraBase Compound ID 7qcUL1evFbb
InChI InChI=1S/C15H12N2S2/c1-17-12-9-5-6-10-13(12)19-15(17)16-14(18)11-7-3-2-4-8-11/h2-10H,1H3/b16-15-/i1D3
InChIKey XAEPMVQLBACBCZ-SDIJTUFDSA-N
Mol Weight 287.41 g/mol
Molecular Formula C15H92D3N2S2
Exact Mass 287.063021 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IFjHNOzI51o
Name Benzenecarbothioamide, N-[3-(methyl-D3)-2(3H)-benzothiazolylidene]-
CAS Registry Number 126232-35-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H9D3N2S2
InChI InChI=1S/C15H12N2S2/c1-17-12-9-5-6-10-13(12)19-15(17)16-14(18)11-7-3-2-4-8-11/h2-10H,1H3/b16-15-/i1D3
InChIKey XAEPMVQLBACBCZ-SDIJTUFDSA-N
Molecular Weight 287.413 g/mol
SMILES C(\N=C\1N(c2ccccc2S1)C([2D])([2D])[2D])(=S)c1ccccc1
SPLASH splash10-0h3i-1690000000-604de92b1c679f3a85be
Source of Spectrum O-24-890-5
Synonyms 3-(trideuterio)methyl-2-(phenylthioxo)imino-2,3-dihydrobenzothiazole
Wiley ID 1287738