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Thieno[3,2-d]isothiazole-5-carboxylic acid, 4-amino-3-phenyl-
SpectraBase Compound ID 8t84hbwyFrL
InChI InChI=1S/C12H8N2O2S2/c13-8-7-9(6-4-2-1-3-5-6)14-18-12(7)17-10(8)11(15)16/h1-5H,13H2,(H,15,16)
InChIKey KYNNPBMHNJRGEV-UHFFFAOYSA-N
Mol Weight 276.33 g/mol
Molecular Formula C12H8N2O2S2
Exact Mass 276.00272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3W3d0qGtQoM
Name Thieno[3,2-d]isothiazole-5-carboxylic acid, 4-amino-3-phenyl-
CAS Registry Number 126938-83-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H8N2O2S2
InChI InChI=1S/C12H8N2O2S2/c13-8-7-9(6-4-2-1-3-5-6)14-18-12(7)17-10(8)11(15)16/h1-5H,13H2,(H,15,16)
InChIKey KYNNPBMHNJRGEV-UHFFFAOYSA-N
Molecular Weight 276.328 g/mol
SMILES Nc1c(C(=O)O)sc2c1c(ns2)-c1ccccc1
SPLASH splash10-001i-5490000000-0adae61fb2acbb37a530
Source of Spectrum B-42-1300-3
Synonyms 4-Amino-3-phenylthieno[3,2-d]isothiazole-5-carboxylic acid
Wiley ID 1279596