Methyl hydrogen disulfide
- Formula: CH4S2
- Molecular weight: 80.172
- IUPAC Standard InChI: InChI=1S/CH4S2/c1-3-2/h2H,1H3
- IUPAC Standard InChIKey: KFLNNVFDKSNGBW-UHFFFAOYSA-N
- CAS Registry Number: 6251-26-9
- 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: Methyl hydrodisulfide; Methyl sulfhydryl sulfide; Hydrogen methyl disulfide
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Reaction thermochemistry data
Go To: Top, Gas phase ion energetics data, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: John E. Bartmess
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
CH3S2- + =
By formula: CH3S2- + H+ = CH4S2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 351.6 ± 3.1 | kcal/mol | G+TS | Downard, Bowie, et al., 1992 | gas phase; Acid: between CF3COCH3, tBuSH |
| ΔrH° | 351.6 ± 4.0 | kcal/mol | D-EA | Moran and Ellison, 1988 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 345.0 ± 3.0 | kcal/mol | IMRB | Downard, Bowie, et al., 1992 | gas phase; Acid: between CF3COCH3, tBuSH |
| ΔrG° | 345.0 ± 4.1 | kcal/mol | H-TS | Moran and Ellison, 1988 | gas phase |
Gas phase ion energetics data
Go To: Top, Reaction thermochemistry data, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: John E. Bartmess
View reactions leading to CH4S2+ (ion structure unspecified)
De-protonation reactions
CH3S2- + =
By formula: CH3S2- + H+ = CH4S2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 351.6 ± 3.1 | kcal/mol | G+TS | Downard, Bowie, et al., 1992 | gas phase; Acid: between CF3COCH3, tBuSH |
| ΔrH° | 351.6 ± 4.0 | kcal/mol | D-EA | Moran and Ellison, 1988 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 345.0 ± 3.0 | kcal/mol | IMRB | Downard, Bowie, et al., 1992 | gas phase; Acid: between CF3COCH3, tBuSH |
| ΔrG° | 345.0 ± 4.1 | kcal/mol | H-TS | Moran and Ellison, 1988 | gas phase |
Gas Chromatography
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, References, Notes
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
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-1 | 640. | Kuo and Ho, 1992 | 50. m/0.32 mm/1.05 μm, He, 2. K/min; Tstart: 40. C; Tend: 260. C |
| Capillary | HP-1 | 686. | Kuo and Ho, 1992, 2 | 50. m/0.32 mm/1.05 μm, He, 2. K/min; Tstart: 40. C; Tend: 260. C |
| Capillary | OV-1 | 686. | Chen and Ho, 1986 | H2, 4. K/min, 280. C @ 50. min; Column length: 50. m; Column diameter: 0.2 mm; Tstart: 50. C |
References
Go To: Top, Reaction thermochemistry data, 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.
Downard, Bowie, et al., 1992
Downard, K.M.; Bowie, J.H.; O'Hair, R.A.J.; Krempp, M.; DePuy, C.H.,
Gas Phase Reactions of the Methylsulfinyl and Methyldisulfide Anions,
Int. J. Mass Spectrom. Ion Proc., 1992, 120, 3, 217, https://doi.org/10.1016/0168-1176(92)85050-A
. [all data]
Moran and Ellison, 1988
Moran, S.; Ellison, G.B.,
Photoelectron Spectroscopy of Sulfur Ions,
J. Phys. Chem., 1988, 92, 7, 1794, https://doi.org/10.1021/j100318a021
. [all data]
Kuo and Ho, 1992
Kuo, M.-C.; Ho, C.-T.,
Volatile constituents of the distilled oils of Welsh onions (Allium fistulosum L. variety Maichuon) and scallions (Allium fistulosum L. variety Caespitosum),
J. Agric. Food Chem., 1992, 40, 1, 111-117, https://doi.org/10.1021/jf00013a021
. [all data]
Kuo and Ho, 1992, 2
Kuo, M.-C.; Ho, C.-T.,
Volatile constituents of the solvent extracts of Welsh onions (Allium fistulosum L. variety Maichuon) and scallions (A. fistulosum L. variety caepitosum),
J. Agric. Food Chem., 1992, 40, 10, 1906-1910, https://doi.org/10.1021/jf00022a036
. [all data]
Chen and Ho, 1986
Chen, C.-C.; Ho, C.-T.,
Identification of sulfurous compounds of shiitake mushroom (Lentinus edodes Sing.),
J. Agric. Food Chem., 1986, 34, 5, 830-833, https://doi.org/10.1021/jf00071a016
. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Gas Chromatography, References
- Symbols used in this document:
ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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