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2-(p-tolylsulfonyl)-1,3,2-dithiazole-4,5-dicarbonitrile
SpectraBase Compound ID IplgdqByHKF
InChI InChI=1S/C11H7N3O2S3/c1-8-2-4-9(5-3-8)19(15,16)14-17-10(6-12)11(7-13)18-14/h2-5H,1H3
InChIKey NDBZVJLXUXMUOC-UHFFFAOYSA-N
Mol Weight 309.38 g/mol
Molecular Formula C11H7N3O2S3
Exact Mass 308.97004 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HvyssKc6sfz
Name 2-(p-tolylsulfonyl)-1,3,2-dithiazole-4,5-dicarbonitrile
Alternate Name(s) 2-[(4-methylphenyl)sulfonyl]-1,3,2-dithiazole-4,5-dicarbonitrile
CAS Registry Number 117828-79-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H7N3O2S3
InChI InChI=1S/C11H7N3O2S3/c1-8-2-4-9(5-3-8)19(15,16)14-17-10(6-12)11(7-13)18-14/h2-5H,1H3
InChIKey NDBZVJLXUXMUOC-UHFFFAOYSA-N
Molecular Weight 309.376 g/mol
SMILES c1(S(N2SC(C#N)=C(S2)C#N)(=O)=O)ccc(cc1)C
SPLASH splash10-0pi9-0900000000-ef37047b4bb40af5b265
Source of Spectrum K-122-386-7
Wiley ID 1310444