1,2,3-Benzothiadiazole

Formula: C₆H₄N₂S
Molecular weight: 136.174
IUPAC Standard InChI: InChI=1S/C6H4N2S/c1-2-4-6-5(3-1)7-8-9-6/h1-4H
IUPAC Standard InChIKey: FNQJDLTXOVEEFB-UHFFFAOYSA-N
CAS Registry Number: 273-77-8
Chemical structure:
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Gas phase ion energetics data

Data compiled by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV)	Method	Reference	Comment
9.50 ± 0.05	EI	Thorstad and Undheim, 1974
9.15	PE	Johnstone and Mellon, 1973	Vertical value

References

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Thorstad and Undheim, 1974
Thorstad, O.; Undheim, K., Mass spectrometry of onium compounds. XXIV. Ionisation potential in structure analysis of pyridodiazo-oxides, Chem. Scr., 1974, 6, 222. [all data]

Johnstone and Mellon, 1973
Johnstone, R.A.W.; Mellon, F.A., Photoelectron spectroscopy of sulphur-containing heteroaromatics and molecular orbital calculations, J. Chem. Soc. Faraday Trans. 2, 1973, 69, 1155. [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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