- Formula: C4H8OS
- Molecular weight: 104.171
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: SVUNGRWSYPGFNP-UHFFFAOYSA-N
- CAS Registry Number: 19858-14-1
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: 2,3-Epithiopropyl methyl ether; Ether, 2,3-epithiopropyl methyl; (Methoxymethyl)thiirane; 2-(Methoxymethyl)thiirane; Thiirane, 2-(methoxymethyl)-; 2,3-Epithiopropyl methoxy ether
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Gas phase ion energetics data
Go To: Top, Mass spectrum (electron ionization), 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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
View reactions leading to C4H8OS+ (ion structure unspecified)
Ionization energy determinations
|8.4||PE||Rodin, Chistyakov, et al., 1985||LBLHLM|
|8.82||PE||Rodin, Chistyakov, et al., 1985||Vertical value; LBLHLM|
|8.77||PE||McAlduff and Houk, 1977||Vertical value; LLK|
Mass spectrum (electron ionization)
Go To: Top, Gas phase ion energetics data, References, Notes
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
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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||J.E. WILKINSON S-CUBED, SAN DIEGO, CA.|
|NIST MS number||97040|
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes
Rodin, Chistyakov, et al., 1985
Rodin, A.A.; Chistyakov, A.B.; Sarkisov, Y.S.; Sergeev, Y.L.; V'yunov, K.A.; Golovin, A.V., Electronic structure and geometric structure of three-member J. Heterocycl. Chem.. I. hotoelectron spectra of gylcidyl and thioglycidyl ethers, Russ. J. Phys. Chem., 1985, 59, 444, In original 764. [all data]
McAlduff and Houk, 1977
McAlduff, E.J.; Houk, K.N., Photoelectron spectra of substituted oxiranes and thiiranes. Substituent effects on ionization potentials involving «sigma» orbitals, Can. J. Chem., 1977, 55, 318. [all data]
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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