2-methyl-3-thiophenethiol
- Formula: C5H6S2
- Molecular weight: 130.231
- IUPAC Standard InChI: InChI=1S/C5H6S2/c1-4-5(6)2-3-7-4/h2-3,6H,1H3
- IUPAC Standard InChIKey: AQXLMAYNBMTBHD-UHFFFAOYSA-N
- CAS Registry Number: 2527-76-6
- 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: 2-methyl-3-thiophenthiol; Thiophen-3-thiol, 2-methyl; 3-Thiophenthiol, 2-methyl; 2-Methyl-thiopene-3-thiol; 2-Methylthiophen-3-thiol; 3-Thiophenethiol, 2-methyl-; 2-methylthiophene-3-thiol
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Van Den Dool and Kratz RI, polar column, custom temperature program
Go To: Top, 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
| Column type | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | FFAP | CP-Wax 52CB | FFAP | FFAP |
| Column length (m) | 30. | 50. | 30. | 30. |
| Carrier gas | He | He | ||
| Substrate | ||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.21 | 0.25 | 0.25 |
| Program | 35C(2min) => 40C/min => 60C(5min) => 6C/min => 230C(15min) | 0C(5min) => fast => 60C(5min) => 4C/min => 220C(20min) | 40C (2min) => 40C/min => 60C (5min) => 6C/min => 230C (15min) | 40C (2min) => 40C/min => 60C (5min) => 6C/min => 230C (15min) |
| I | 1559. | 1580. | 1559. | 1559. |
| Reference | Hofmann and Schieberle, 1998 | Madruga and Mottram, 1998 | Hofmann and Schieberle, 1995 | Hofmann and Schieberle, 1995 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Hofmann and Schieberle, 1998
Hofmann, T.; Schieberle, P.,
Identification of key aroma compounds generated from cysteine and carbohydrates under roasting conditions,
Z. Lebensm. Unters. Forsch. A, 1998, 207, 3, 229-236, https://doi.org/10.1007/s002170050324
. [all data]
Madruga and Mottram, 1998
Madruga, M.S.; Mottram, D.S.,
The effect of pH on the formation of volatile compounds produced by heating a model system containing 5'-imp and cysteine,
J. Braz. Chem. Soc., 1998, 9, 3, 261-271, https://doi.org/10.1590/S0103-50531998000300010
. [all data]
Hofmann and Schieberle, 1995
Hofmann, T.; Schieberle, P.,
Evaluation of the key odorants in a thermally treated solution of ribose and cysteine by aroma extract dilution techniques,
J. Agric. Food Chem., 1995, 43, 8, 2187-2194, https://doi.org/10.1021/jf00056a042
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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