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Thieno[3,2-d]isothiazol-4-amine, 5-nitro-3-phenyl-
SpectraBase Compound ID 8ERgo0XI3Tl
InChI InChI=1S/C11H7N3O2S2/c12-8-7-9(6-4-2-1-3-5-6)13-18-11(7)17-10(8)14(15)16/h1-5H,12H2
InChIKey XHSSZDWDBYEDKL-UHFFFAOYSA-N
Mol Weight 277.32 g/mol
Molecular Formula C11H7N3O2S2
Exact Mass 276.997969 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1YLW2PZp7LW
Name Thieno[3,2-d]isothiazol-4-amine, 5-nitro-3-phenyl-
CAS Registry Number 126938-93-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H7N3O2S2
InChI InChI=1S/C11H7N3O2S2/c12-8-7-9(6-4-2-1-3-5-6)13-18-11(7)17-10(8)14(15)16/h1-5H,12H2
InChIKey XHSSZDWDBYEDKL-UHFFFAOYSA-N
Molecular Weight 277.316 g/mol
SMILES Nc1c2c(nsc2sc1N(=O)=O)-c1ccccc1
SPLASH splash10-004i-1490000000-05bc91da76fa40843501
Source of Spectrum B-42-1302-3
Synonyms 4-Amino-5-nitro-3-phenylthieno[3,2-d]isothiazole 5-Nitro-3-phenylthieno[3,2-d]isothiazol-4-amine 5-Nitro-3-phenylthieno[3,2-d]isothiazol-4-ylamine
Wiley ID 1280770