Benzenecarbothioic acid

Formula: C₇H₆OS
Molecular weight: 138.187
IUPAC Standard InChI: InChI=1S/C7H6OS/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
IUPAC Standard InChIKey: UIJGNTRUPZPVNG-UHFFFAOYSA-N
CAS Registry Number: 98-91-9
Chemical structure:
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Other names: Benzoic acid, thio-; Benzoyl thiol; Monothiobenzoic acid; Thiobenzoic acid; Acido mercaptobenzoico
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Other data available:
- Mass spectrum (electron ionization)
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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
9.0	PE	Meeks, Wahlborg, et al., 1981
9.6	PE	Meeks, Wahlborg, et al., 1981	Vertical value

References

Go To: Top, Gas phase ion energetics data, Notes

Meeks, Wahlborg, et al., 1981
Meeks, J.; Wahlborg, A.; McGlynn, S.P., Photoelectron spectroscopy of carbonyls: Benzoic acid and its derivatives, J. Electron Spectrosc. Relat. Phenom., 1981, 22, 43. [all data]

Notes

Go To: Top, Gas phase ion energetics data, References

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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