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2-methyl-1,2-benzisothiazoline-3-thione, 1,1-dioxide
SpectraBase Compound ID AWTVg0CIv67
InChI InChI=1S/C8H7NO2S2/c1-9-8(12)6-4-2-3-5-7(6)13(9,10)11/h2-5H,1H3
InChIKey RRLRWJKWMRETNS-UHFFFAOYSA-N
Mol Weight 213.27 g/mol
Molecular Formula C8H7NO2S2
Exact Mass 212.991821 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GJTyw9cbZGG
Name 2-Methyl-1,2-benzisothiazole-3(2H)-thione 1,1-dioxide
Alternate Name(s) 1,1-Diketo-2-methyl-1,2-benzothiazole-3-thione 1,2-Benzoisothiazole-3(2H)-thione, 2-methyl-, 1,1-dioxide 2-Methyl-1,1-bis(oxidanylidene)-1,2-benzothiazole-3-thione 2-Methyl-1,1-dioxo-1,2-benzothiazole-3-thione
CAS Registry Number 84705-07-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7NO2S2
InChI InChI=1S/C8H7NO2S2/c1-9-8(12)6-4-2-3-5-7(6)13(9,10)11/h2-5H,1H3
InChIKey RRLRWJKWMRETNS-UHFFFAOYSA-N
Molecular Weight 213.269 g/mol
SMILES c1ccc2c(S(N(C2=S)C)(=O)=O)c1
SPLASH splash10-00dj-8920000000-1b794e70d77a0bdfe76e
Source of Spectrum AD-0-2532-0
Wiley ID 1426757