1,3-Oxathiolane
- Formula: C3H6OS
- Molecular weight: 90.144
- IUPAC Standard InChI: InChI=1S/C3H6OS/c1-2-5-3-4-1/h1-3H2
- IUPAC Standard InChIKey: WJJSZTJGFCFNKI-UHFFFAOYSA-N
- CAS Registry Number: 2094-97-5
- 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: 1,3-Oxathiole, dihydro-; 1,3-Oxothiolane
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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: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 9. ± 0.05 | EI | Conde-Caprace and Collin, 1972 |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| CHS+ | 12.9 ± 0.2 | ? | EI | Conde-Caprace and Collin, 1972 | |
| CH2OS+ | 10.4 ± 0.3 | C2H4 | EI | Conde-Caprace and Collin, 1972 | |
| CH2S+ | 12.5 ± 0.2 | ? | EI | Conde-Caprace and Collin, 1972 | |
| C2H3S+ | 12.3 ± 0.1 | CH2O+H | EI | Conde-Caprace and Collin, 1972 | |
| C2H4S+ | 10.5 ± 0.1 | CH2O | EI | Conde-Caprace and Collin, 1972 | |
| C2H5S+ | 10.4 ± 0.1 | CHO | EI | Conde-Caprace and Collin, 1972 | |
| C3H5OS+ | 10.8 ± 0.1 | H | EI | Conde-Caprace and Collin, 1972 |
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.
Conde-Caprace and Collin, 1972
Conde-Caprace, G.; Collin, J.E.,
Ionization and dissociation of cyclic ethers thioethers by electron-impact. A comparison between 1,3-dioxolane, 1,3-dithiolane and 1,3-oxathiolane,
Org. Mass Spectrom., 1972, 6, 415. [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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