3-Vinyl-1,2-dithiacyclohex-4-ene

Formula: C₆H₈S₂
Molecular weight: 144.258
IUPAC Standard InChI: InChI=1S/C6H8S2/c1-2-6-4-3-5-7-8-6/h2-4,6H,1,5H2
IUPAC Standard InChIKey: UQXHSMWBRGWFBK-UHFFFAOYSA-N
CAS Registry Number: 62488-52-2
Chemical structure:
This structure is also available as a 2d Mol file
Other names: 1,2-Dithi-4-ene, 3-ethenyl; 3-Ethenyl-1,2-dithi-4-ene; 3-Vinyl-1,2-dithi-4-ene; 3-Vinyl-3,6-dihydro-1,2-dithiine; 3-Vinyl-1,2-dithiocyclohex-4-ene
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Other data available:
- Mass spectrum (electron ionization)
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Gas Chromatography

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, temperature ramp

Column type	Active phase	I	Reference	Comment
Capillary	SE-54	1205.	Zoghbi, Ramos, et al., 1984	30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min; T_end: 230. C

Van Den Dool and Kratz RI, non-polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5MS	1190.9	Andriamaharavo, 2014	30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min)

Van Den Dool and Kratz RI, polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	FFAP	1750.	Calvo-Gómez, Morales-López, et al., 2004	30. m/0.25 mm/0.25 μm, He, 40. C @ 3. min, 5. K/min; T_end: 220. C

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	DB-5MS	1214.	Zoghbi, Andrade, et al., 2002	30. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 60. C; T_end: 270. C
Capillary	DB-5	1180.	Sinha, Guyer, et al., 1992	He, 2. K/min; Column length: 30. m; Column diameter: 0.2 mm; T_start: 30. C; T_end: 200. C

References

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Zoghbi, Ramos, et al., 1984
Zoghbi, M.G.B.; Ramos, L.S.; Maia, J.G.S.; da Silva, M.L.; Luz, A.I.R., Volatile sulfides of the Amazonian garlic bush, J. Agric. Food Chem., 1984, 32, 5, 1009-1010, https://doi.org/10.1021/jf00125a014 . [all data]

Andriamaharavo, 2014
Andriamaharavo, N.R., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]

Calvo-Gómez, Morales-López, et al., 2004
Calvo-Gómez, O.; Morales-López, J.; López, M.G., Solid-phase microextraction-gas chromatographic-mass spectrometric analysis of garlic oil obtained by hydrodistillation, J. Chromatogr. A, 2004, 1036, 1, 91-93, https://doi.org/10.1016/j.chroma.2004.02.072 . [all data]

Zoghbi, Andrade, et al., 2002
Zoghbi, M.G.B.; Andrade, E.H.A.; Maia, J.G.S., Volatile constituents from Adenocalymma alliaceum Miers and Petiveria alliacea L., two medicinal herbs of the Amazon, Flavour Fragr. J., 2002, 17, 2, 133-135, https://doi.org/10.1002/ffj.1051 . [all data]

Sinha, Guyer, et al., 1992
Sinha, N.K.; Guyer, D.E.; Gage, D.A.; Lira, C.T., Supercritical carbon dioxide extraction of onion flavors and their analysis by gas chromatography-mass spectrometry, J. Agric. Food Chem., 1992, 40, 5, 842-845, https://doi.org/10.1021/jf00017a027 . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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