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1-Ethyl-3H-1.lambda.4-thieno[3,2-d]isothiazole 1-oxide
SpectraBase Compound ID CB1f8aJSUdh
InChI InChI=1S/C7H9NOS2/c1-2-11(9)7-6(5-8-11)3-4-10-7/h3-4H,2,5H2,1H3
InChIKey BZUSWBNTDQLWOI-UHFFFAOYSA-N
Mol Weight 187.27 g/mol
Molecular Formula C7H9NOS2
Exact Mass 187.012556 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Mt1wT2KVd9
Name 1-Ethyl-3H-1.lambda.4-thieno[3,2-d]isothiazole 1-oxide
Appearance White solid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 187.012556261 u
Formula C7H9NOS2
InChI InChI=1S/C7H9NOS2/c1-2-11(9)7-6(5-8-11)3-4-10-7/h3-4H,2,5H2,1H3
InChIKey BZUSWBNTDQLWOI-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/anie.201804284
Molecular Weight 187.275 g/mol
Reported Formula C7H9NOS2
SMILES C12=C(S(=NC2)(CC)=O)SC=C1
SPLASH splash10-01p9-0900000000-cb915782546f86a098f6
Source of Spectrum ACI-57-SM18-4i (DOI: 10.1002/anie.201804284)
Thin-Layer Chromatography 0.40 (EtOAc/MeOH, 10:1)
Wiley ID 1893372