1,2,3-trithiacyclohexane
- Formula: C3H6S3
- Molecular weight: 138.275
- IUPAC Standard InChI: InChI=1S/C3H6S3/c1-2-4-6-5-3-1/h1-3H2
- IUPAC Standard InChIKey: BVOMRRWJQOJMPA-UHFFFAOYSA-N
- CAS Registry Number: 3325-33-5
- 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: 1,2,3-Trithiane
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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 and Joel F. Liebman
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 7.9 | PE | Bock, Chenards, et al., 1988 | |
| 8.36 | PE | Bock, Chenards, et al., 1988 | Vertical value |
Gas Chromatography
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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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 1216. | Yu, Wu, et al., 1994 | 60. m/0.25 mm/1.0 μm, He, 40. C @ 5. min, 2. K/min, 260. C @ 60. min |
| Capillary | DB-1 | 1199. | Yu, Wu, et al., 1994, 2 | 60. m/0.25 mm/1. μm, He, 40. C @ 5. min, 2. K/min, 260. C @ 60. min |
| Capillary | DB-1 | 1195. | Yu, Wu, et al., 1994, 3 | 60. m/0.25 mm/1. μm, He, 40. C @ 5. min, 2. K/min, 260. C @ 60. min |
References
Go To: Top, Gas phase ion energetics data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Bock, Chenards, et al., 1988
Bock, H.; Chenards, B.L.; Rittmeyer, P.; Stein, U.,
Radical ions, 78 The oxidative desulfuration of organic cyclic polysulfides to disulfide radical cations in AlCl3/H2CCl2 solution,
Z. Naturforsch. B:, 1988, 43, 117. [all data]
Yu, Wu, et al., 1994
Yu, T.-H.; Wu, C.-M.; Ho, C.-T.,
Meat-like flavor generated from thermal interactions of glucose and alliin or deoxyalliin,
J. Agric. Food Chem., 1994, 42, 4, 1005-1009, https://doi.org/10.1021/jf00040a032
. [all data]
Yu, Wu, et al., 1994, 2
Yu, T.-H.; Wu, C.-M.; Rosen, R.T.; Hartman, T.G.; Ho, C.-T.,
Volatile compounds in generated from thermal degradation of alliin and deoxyalliin in an aqueous solution,
J. Agric. Food Chem., 1994, 42, 1, 146-153, https://doi.org/10.1021/jf00037a026
. [all data]
Yu, Wu, et al., 1994, 3
Yu, T.-H.; Wu, C.-M.; Ho, C.-T.,
Volatile compounds generated from the thermal interaction of glucose and alliin or deoxyalliin in propylene glycol,
Food Chem., 1994, 51, 3, 281-286, https://doi.org/10.1016/0308-8146(94)90028-0
. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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