2,4-Dithiapentane
- Formula: C3H8S2
- Molecular weight: 108.226
- IUPAC Standard InChI: InChI=1S/C3H8S2/c1-4-3-5-2/h3H2,1-2H3
- IUPAC Standard InChIKey: LOCDPORVFVOGCR-UHFFFAOYSA-N
- CAS Registry Number: 1618-26-4
- 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: CH3SCH2SCH3; Bis(methylthio)methane; Formaldehyde dimethyl mercaptal; Methane, bis(methylthio)-; Bis(methylmercapto)methane; Methylenebis(methyl sulfide); Thioformaldehyde dimethylthioacetal; Bis(methylsulfanyl)methane; 2,4-Dithiopentane; NSC 96010; Thioformaldehyde dimethyl acetal; bis(methylthio)methan
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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 compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.67 | PE | Guimon, Guimon, et al., 1975 | Vertical value; LLK |
| 8.65 | PE | Bock, Wagner, et al., 1972 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C2H5S+ | 10.1 ± 0.15 | SCH3 | EI | Broer, Weringa, et al., 1979 | 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.
Guimon, Guimon, et al., 1975
Guimon, C.; Guimon, M.-F.; Pfister-Guillouzo, G.,
Application of photoelectron spectroscopy to conformational analysis of two 1,3-dithia compounds,
Tetrahedron Lett., 1975, 17, 1413. [all data]
Bock, Wagner, et al., 1972
Bock, H.; Wagner, G.; Kroner, J.,
Photoelektronenspektren und molekuleigenschaften, XIV. Die delokalisation des schwefel-elektronenpaar in CH3S-substituierten aromaten,
Chem. Ber., 1972, 105, 3850. [all data]
Broer, Weringa, et al., 1979
Broer, W.J.; Weringa, W.D.; Nieuwpoort, W.C.,
Rearrangements and fragmentations of [C2H5S]+ ions,
Org. Mass Spectrom., 1979, 14, 543. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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