Benzene, 1-methoxy-4-(methylthio)-
- Formula: C8H10OS
- Molecular weight: 154.229
- IUPAC Standard InChI: InChI=1S/C8H10OS/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H3
- IUPAC Standard InChIKey: DQNSKXYRRRCKGH-UHFFFAOYSA-N
- CAS Registry Number: 1879-16-9
- 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: Anisole, p-(methylthio)-; p-(Methylthio)anisole; p-Anisyl methyl sulfide; p-Methoxyphenyl methyl sulfide; Methyl p-methoxyphenyl sulfide; Methyl 4-methoxyphenyl sulfide; 1-Methoxy-4-methylthiobenzene; 4-(Methylthio)anisole; 4-Methoxythiophenol, S-methyl-; Methyl p-anisyl sulfide; NSC 124839; 1-Methoxy-4-(methylsulfanyl)benzene
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Gas phase ion energetics data
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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 as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 7.80 | PE | Chmutova, Vtyurina, et al., 1979 | Vertical value; LLK |
| 7.80 ± 0.01 | PE | Bernardi, Distefano, et al., 1975 | Vertical value; LLK |
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
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | VF-5MS | 1355.7 | Tret'yakov, 2008 | 30. m/0.25 mm/0.25 μm, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C |
References
Go To: Top, 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.
Chmutova, Vtyurina, et al., 1979
Chmutova, G.A.; Vtyurina, N.N.; Komina, T.V.; Gazizov, I.G.; Bock, H.,
Molecular-orbital characteristics of anisole isologs X-C6H4-ECH3 (E = O, S, Se) containing donor substituents X,
Zh. Obshch. Khim., 1979, 49, 192. [all data]
Bernardi, Distefano, et al., 1975
Bernardi, F.; Distefano, G.; Mangini, A.; Pignataro, S.; Spunta, G.,
Photoelectron spectra of substituted anisoles thioanisoles,
J. Electron Spectrosc. Relat. Phenom., 1975, 7, 457. [all data]
Tret'yakov, 2008
Tret'yakov, K.V.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2008. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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