Pyridine, 3-(methylthio)-
- Formula: C6H7NS
- Molecular weight: 125.191
- IUPAC Standard InChI: InChI=1S/C6H7NS/c1-8-6-3-2-4-7-5-6/h2-5H,1H3
- IUPAC Standard InChIKey: AULOGPOZBOCNSX-UHFFFAOYSA-N
- CAS Registry Number: 18794-33-7
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: 3-(Methylthio)pyridine
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Gas phase ion energetics data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Proton affinity (review) | 223.8 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
| Quantity | Value | Units | Method | Reference | Comment |
| Gas basicity | 216.2 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.93 ± 0.02 | EI | Gronneberg and Undheim, 1972 | LLK |
| 8.41 ± 0.03 | PE | Cook, El-Abbady, et al., 1977 | Vertical value; LLK |
References
Go To: Top, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Gronneberg and Undheim, 1972
Gronneberg, T.; Undheim, K.,
Mass spectrometry of onium compounds. XI: ionization potentials of hydroxy and mercapto pyridines,
Org. Mass Spectrom., 1972, 6, 823. [all data]
Cook, El-Abbady, et al., 1977
Cook, M.J.; El-Abbady, S.; Katritzky, A.R.; Guimon, C.; Pfister-Guillouzo, G.,
Photoelectron spectra of hydroxy- and mercapto-pyridines and models of fixed structure,
J. Chem. Soc. Perkin Trans. 2, 1977, 1652. [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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