Propane, 1-(methylthio)-
- Formula: C4H10S
- Molecular weight: 90.187
- IUPAC Standard InChI: InChI=1S/C4H10S/c1-3-4-5-2/h3-4H2,1-2H3
- IUPAC Standard InChIKey: ZOASGOXWEHUTKZ-UHFFFAOYSA-N
- CAS Registry Number: 3877-15-4
- 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: Sulfide, methyl propyl; Methyl propyl sulfide; 2-Thiapentane; 1-(Methylthio)propane; Methyl propyl sulphide; n-C3H7SCH3
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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 by: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 8.8 ± 0.15 | EI | Hobrock and Kiser, 1962 |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| CHS+ | 15.2 ± 0.4 | ? | EI | Hobrock and Kiser, 1962 | |
| CH2S+ | 14.1 ± 0.3 | ? | EI | Hobrock and Kiser, 1962 | |
| CH3+ | 16.6 ± 0.5 | ? | EI | Hobrock and Kiser, 1962 | |
| CH3S+ | 14.0 ± 0.2 | ? | EI | Hobrock and Kiser, 1962 | |
| CH4S+ | 10.5 ± 0.1 | ? | EI | Keyes and Harrson, 1968 | |
| CH5S+ | 10.2 ± 0.1 | ? | EI | Keyes and Harrson, 1968 | |
| C2H3+ | 15.8 ± 0.4 | ? | EI | Hobrock and Kiser, 1962 | |
| C2H5+ | 15.3 ± 0.5 | ? | EI | Hobrock and Kiser, 1962 | |
| C2H5S+ | 11.0 ± 0.1 | C2H5 | EI | Keyes and Harrson, 1968 | |
| C3H3+ | 18.4 ± 0.5 | ? | EI | Hobrock and Kiser, 1962 | |
| C3H5+ | 14.8 ± 0.2 | ? | EI | Hobrock and Kiser, 1962 | |
| C3H6+ | 12.5 ± 0.4 | ? | EI | Hobrock and Kiser, 1962 | |
| C3H7+ | 12.3 ± 0.4 | ? | EI | Hobrock and Kiser, 1962 | |
| C3H7S+ | 11.7 ± 0.2 | CH3 | EI | Hobrock and Kiser, 1962 |
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.
Hobrock and Kiser, 1962
Hobrock, B.G.; Kiser, R.W.,
Electron impact spectroscopy of sulfur compounds. I. 2-Thiabutane, 2-thiapentane, and 2,3-dithiabutane,
J. Phys. Chem., 1962, 66, 1648. [all data]
Keyes and Harrson, 1968
Keyes, B.G.; Harrson, A.G.,
The fragmentation of aliphatic sulfur compounds by electron impact,
J. Am. Chem. Soc., 1968, 90, 5671. [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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