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, non-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 |
|---|---|---|---|
| Active phase | SE-54 | SE-54 | DB-5 |
| Column length (m) | 30. | 30. | 50. |
| Carrier gas | He | He | |
| Substrate | |||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | |
| Program | 35C(2min) => 40C/min => 50C(5min) => 6C/min => 230C(15min) | 40C (2min) => 40C/min => 50C (5min) => 6C/min => 230C (15min) | 0C => 60C/min => 60C (5min) => 4C/min => 250C |
| I | 1059. | 1059. | 1058. |
| Reference | Hofmann and Schieberle, 1998 | Hofmann and Schieberle, 1995 | Mottram and Whitfield, 1995 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, non-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]
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]
Mottram and Whitfield, 1995
Mottram, D.S.; Whitfield, F.B.,
Volatile compounds from the reaction of cysteine, ribose, and phospholipid in low-moisture systems,
J. Agric. Food Chem., 1995, 43, 4, 984-988, https://doi.org/10.1021/jf00052a027
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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