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2,1,3-Benzothiadiazole, 4-(iodomethyl)-

View entire compound with spectra: 1 MS (GC)

2,1,3-Benzothiadiazole, 4-(iodomethyl)-
SpectraBase Compound ID 1Kc9g8vFWMO
InChI InChI=1S/C7H5IN2S/c8-4-5-2-1-3-6-7(5)10-11-9-6/h1-3H,4H2
InChIKey SSXWOTXBYWGCOS-UHFFFAOYSA-N
Mol Weight 276.1 g/mol
Molecular Formula C7H5IN2S
Exact Mass 275.921814 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5PyRn1HRMNE
Name 2,1,3-Benzothiadiazole, 4-(iodomethyl)-
CAS Registry Number 57234-81-8
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H5IN2S
InChI InChI=1S/C7H5IN2S/c8-4-5-2-1-3-6-7(5)10-11-9-6/h1-3H,4H2
InChIKey SSXWOTXBYWGCOS-UHFFFAOYSA-N
Molecular Weight 276.095 g/mol
SMILES c12nsnc2cccc1CI
SPLASH splash10-0002-3900000000-67671c7c133597dfdd45
Source of Spectrum SB-29-623-0
Synonyms 4-(iodomethyl)-2,1,3-benzothiadiazole Benzo-2,1,3-thiadiazone (9)
Wiley ID 1279420