1,3,5-Trithiane, 2,4,6-trimethyl-
- Formula: C6H12S3
- Molecular weight: 180.354
- IUPAC Standard InChI: InChI=1S/C6H12S3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3
- IUPAC Standard InChIKey: XQVYLDFSPBXACS-UHFFFAOYSA-N
- CAS Registry Number: 2765-04-0
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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- Other names: S-Trithiane, 2,4,6-trimethyl-; Thioacetaldehyde trimer; Trithioacetaldehyde; 1,3,5-Trimethyl-S-trithiane; 2,4,6-Trimethyl-S-trithiane; 2,4,6-Trimethyl-1,3,5-trithiane; 1,3,5-Trimethyl-2,4,6-trithiane; Thioacetaldehyde cyclic trimer; 1,3,5-Trithiane, 2,4,6-trimethyl, #2; 2,4,6-Trimethyl-s-trithiane (trithioacetaldehyde)
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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 |
|---|---|---|---|
| 8.0 | PE | Kroto, Landsberg, et al., 1974 | LLK |
| 8.39 ± 0.05 | PE | Kroto, Landsberg, et al., 1974 | Vertical value; LLK |
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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | Apiezon M | 130. | 1356. | Garbuzov, Misharina, et al., 1985 | He or N2, Chromosorb W, AW-DMCS; Column length: 2.1 m |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 1306. | Zhang, Chien, et al., 1988 | 60. m/0.25 mm/0.25 μm, He, 2. K/min, 220. C @ 10. min; Tstart: 40. C |
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.
Kroto, Landsberg, et al., 1974
Kroto, H.W.; Landsberg, B.M.; Suffolk, R.J.; Vodden, A.,
The photoelectron and microwave spectra of the unstable species thioacetaldehyde, CH3CHS, and thioacetone, (CH3)2CS,
Chem. Phys. Lett., 1974, 29, 265. [all data]
Garbuzov, Misharina, et al., 1985
Garbuzov, V.G.; Misharina, T.A.; Aerov, A.F.; Golovnya, R.V.,
Gas chromatographic retention indices for sulphur(II)-containing organic substances,
J. Anal. Chem. USSR (Engl. Transl.), 1985, 40, 4, 576-586. [all data]
Zhang, Chien, et al., 1988
Zhang, Y.; Chien, M.; Ho.C.-T.,
Comparison of the volatile compounds obtained from thermal degradation of cysteine and glutathione in water,
J. Agric. Food Chem., 1988, 36, 5, 992-996, https://doi.org/10.1021/jf00083a022
. [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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