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3-(methylsulfanyl)-4,5,6,7-tetrahydro-2,1-benzisothiazole

View entire compound with spectra: 1 MS (GC)

3-(methylsulfanyl)-4,5,6,7-tetrahydro-2,1-benzisothiazole
SpectraBase Compound ID CIQl1JlLiHv
InChI InChI=1S/C8H11NS2/c1-10-8-6-4-2-3-5-7(6)9-11-8/h2-5H2,1H3
InChIKey QBAFIABYISXRNQ-UHFFFAOYSA-N
Mol Weight 185.3 g/mol
Molecular Formula C8H11NS2
Exact Mass 185.033292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FwmwNN2Dkwe
Name 3-(methylsulfanyl)-4,5,6,7-tetrahydro-2,1-benzisothiazole
CAS Registry Number 118631-14-4
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H11NS2
InChI InChI=1S/C8H11NS2/c1-10-8-6-4-2-3-5-7(6)9-11-8/h2-5H2,1H3
InChIKey QBAFIABYISXRNQ-UHFFFAOYSA-N
Molecular Weight 185.303 g/mol
SMILES c12c(snc2CCCC1)SC
SPLASH splash10-000i-0900000000-6e10e90e0fc7553ba244
Source of Spectrum J-54-1091-12
Synonyms 3-(methylthio)-4,5,6,7-tetrahydro-2,1-benzothiazole 3-Methylsulfanyl-4,5,6,7-tetrahydro-2,1-benzothiazole
Wiley ID 1181771