Thiophene, 2-(methylthio)-
- Formula: C5H6S2
- Molecular weight: 130.231
- IUPAC Standard InChI: InChI=1S/C5H6S2/c1-6-5-3-2-4-7-5/h2-4H,1H3
- IUPAC Standard InChIKey: ZLSMPEVZXWDWEK-UHFFFAOYSA-N
- CAS Registry Number: 5780-36-9
- 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: 2-(Methylthio)thiophene; 2-(Methylsulfanyl)thiophene
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Gas phase ion energetics data
Go To: Top, Mass spectrum (electron ionization), 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: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.10 ± 0.05 | EI | Linda, Marino, et al., 1971 | |
| 8.63 ± 0.05 | PE | Fringuelli, Marino, et al., 1976 | Vertical value |
Mass spectrum (electron ionization)
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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
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | NIST Mass Spectrometry Data Center |
| NIST MS number | 333802 |
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 |
|---|---|---|---|---|---|
| Capillary | OV-101 | 130. | 1036. | Misharina, Aerov, et al., 1990 | 50. m/0.32 mm/0.5 μm, He |
| Capillary | OV-101 | 140. | 1040. | Misharina, Aerov, et al., 1990 | 50. m/0.32 mm/0.5 μm, He |
| Capillary | OV-101 | 150. | 1045. | Misharina, Aerov, et al., 1990 | 50. m/0.32 mm/0.5 μm, He |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-101 | 1035. | Misharina, Golovnya, et al., 1993 | 50. m/0.32 mm/0.5 μm, He, 4. K/min; Tstart: 50. C; Tend: 200. C |
| Capillary | OV-101 | 1014. | Misharina, Aerov, et al., 1990 | 50. m/0.32 mm/0.5 μm, He, 4. K/min; Tstart: 50. C |
| Capillary | OV-101 | 1014. | Misharina, Aerov, et al., 1990 | 50. m/0.32 mm/0.5 μm, He, 2. K/min; Tstart: 80. C |
| Capillary | OV-101 | 1019. | Misharina, Aerov, et al., 1990 | 50. m/0.32 mm/0.5 μm, He, 4. K/min; Tstart: 80. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 1020. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
References
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Linda, Marino, et al., 1971
Linda, P.; Marino, G.; Pignataro, S.,
A comparison of sensitivities to substituent effects of five- membered heteroaromatic rings in gas phase ionization,
J. Chem. Soc. B, 1971, 1585. [all data]
Fringuelli, Marino, et al., 1976
Fringuelli, F.; Marino, G.; Taticchi, A.; Distefano, G.; Colonna, F.P.; Pignataro, S.,
Photoelectron spectra of the α-substituted derivatives of furan, thiophen, selenophen, and tellurophen. A comparative study of the molecular orbital energies,
J. Chem. Soc. Perkin Trans. 2, 1976, 276. [all data]
Misharina, Aerov, et al., 1990
Misharina, T.A.; Aerov, A.F.; Golovnya, R.V.,
Gas Chromatographic infrared and mass spectrometric data for identification of isomeric alkylthienylsulphides,
Zh. Anal. Khim., 1990, 45, 535-543. [all data]
Misharina, Golovnya, et al., 1993
Misharina, T.A.; Golovnya, R.V.; Beletsky, I.V.,
Sorption properties of heterocyclic compounds differing by heteroatom in capillary gas chromatography,
Russ. Chem. Bull. (Engl. Transl.), 1993, 42, 7, 1167-1170, https://doi.org/10.1007/BF00701998
. [all data]
Waggott and Davies, 1984
Waggott, A.; Davies, I.W.,
Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, References
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