Benzene, (ethylthio)-
- Formula: C8H10S
- Molecular weight: 138.230
- IUPAC Standard InChI: InChI=1S/C8H10S/c1-2-9-8-6-4-3-5-7-8/h3-7H,2H2,1H3
- IUPAC Standard InChIKey: AEHWKBXBXYNPCX-UHFFFAOYSA-N
- CAS Registry Number: 622-38-8
- 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: Sulfide, ethyl phenyl; (Ethylthio)benzene; (Phenylthio)ethane; Ethyl phenyl sulfide; Phenyl ethyl sulfide; Thiophenetole; Ethyl phenyl sulphide; (1-Thiapropyl)benzene; NSC 75124
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Gas phase ion energetics data
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 as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 7.88 ± 0.02 | PI | Trofimov, Mel'der, et al., 1975 | LLK |
| 8.8 | EI | Gowenlock, Kay, et al., 1963 | RDSH |
| 8.0 | PE | Dewar, Ernstbrunner, et al., 1974 | Vertical value; LLK |
| 8.53 | PE | Dewar, Ernstbrunner, et al., 1974 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| CHS+ | 12.5 | ? | EI | Gowenlock, Kay, et al., 1963 | RDSH |
| C2H5+ | 13.7 | ? | EI | Gowenlock, Kay, et al., 1963 | RDSH |
| C6H5S+ | 12.2 | ? | EI | Gowenlock, Kay, et al., 1963 | RDSH |
| C6H6S+ | 10.77 | ? | EI | Gillis, Long, et al., 1968 | RDSH |
| C7H7S+ | 11.7 | ? | EI | Gowenlock, Kay, et al., 1963 | RDSH |
References
Go To: Top, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Trofimov, Mel'der, et al., 1975
Trofimov, B.A.; Mel'der, U.K.; Pikver, R.I.; Vyalykh, E.P.,
Ionization potentials of unsaturated and sulfides the participation of neighboring multiple bonds of heteroatoms in the stabilization of the radical cation,
Teor. Eksp. Khim., 1975, 11, 129. [all data]
Gowenlock, Kay, et al., 1963
Gowenlock, B.G.; Kay, J.; Majer, J.R.,
Electron impact studies of some sulphides and disulphides,
J. Chem. Soc. Faraday Trans., 1963, 59, 2463. [all data]
Dewar, Ernstbrunner, et al., 1974
Dewar, P.S.; Ernstbrunner, E.; Gilmore, J.R.; Godfrey, M.; Mellor, J.M.,
Conformational analysis of alkyl aryl ethers and alkyl aryl sulphides by photoelectron spectroscopy,
Tetrahedron, 1974, 30, 2455. [all data]
Gillis, Long, et al., 1968
Gillis, R.G.; Long, G.J.; Moritz, A.G.; Occolowitz, J.L.,
Energetics of the electron-impact fragmentation of alkoxybenzenes and alkylthiobenzenes,
Org. Mass Spectrom., 1968, 1, 527. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.