Imidazo[5,1-b][1,3]thiazepine, 2,3,4,5-tetrahydro-9-nitro-, 1,1-dioxide

SpectraBase Compound ID	6A6GKmAqtnN
InChI	InChI=1S/C7H9N3O4S/c11-10(12)6-7-9(5-8-6)3-1-2-4-15(7,13)14/h5H,1-4H2
InChIKey	MGQDJSXBZBWQJX-UHFFFAOYSA-N Google Search
Mol Weight	231.23 g/mol
Molecular Formula	C7H9N3O4S
Exact Mass	231.031377 g/mol

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SpectraBase Spectrum ID	BW4cHziW1eq
Name	Imidazo[5,1-b][1,3]thiazepine, 2,3,4,5-tetrahydro-9-nitro-, 1,1-dioxide
CAS Registry Number	105592-55-0
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C7H9N3O4S
InChI	InChI=1S/C7H9N3O4S/c11-10(12)6-7-9(5-8-6)3-1-2-4-15(7,13)14/h5H,1-4H2
InChIKey	MGQDJSXBZBWQJX-UHFFFAOYSA-N
Molecular Weight	231.226 g/mol
SMILES	c12c(nc[n]2CCCCS1(=O)=O)N(=O)=O
SPLASH	splash10-0159-0290000000-cc5266ae72aead3a30d7
Source of Spectrum	B-38-1876-0
Synonyms	9-Nitro-2,3,4,5-tetrahydroimidazo[5,1-b]thiazepine-1,1-dioxide 9-Nitro-2,3,4,5-tetrahydroimidazo[5,1-b][1,3]thiazepine 1,1-dioxide
Wiley ID	1232467