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3-Methyl-5-(2-thienyl)isothiazole
SpectraBase Compound ID IKqrRov5zTu
InChI InChI=1S/C8H7NS2/c1-6-5-8(11-9-6)7-3-2-4-10-7/h2-5H,1H3
InChIKey BIKHAOXTPKIIRE-UHFFFAOYSA-N
Mol Weight 181.27 g/mol
Molecular Formula C8H7NS2
Exact Mass 181.001992 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 26IqGSh1BXT
Name 3-Methyl-5-(2-thienyl)isothiazole
CAS Registry Number 56421-64-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7NS2
InChI InChI=1S/C8H7NS2/c1-6-5-8(11-9-6)7-3-2-4-10-7/h2-5H,1H3
InChIKey BIKHAOXTPKIIRE-UHFFFAOYSA-N
Molecular Weight 181.271 g/mol
SMILES c1(snc(c1)C)-c1sccc1
SPLASH splash10-001i-3900000000-9e470216e3d92eee8762
Source of Spectrum J-40-3186-6
Wiley ID 1177295