Thiirane, methyl-
- Formula: C3H6S
- Molecular weight: 74.145
- IUPAC Standard InChIKey: MBNVSWHUJDDZRH-UHFFFAOYSA-N
- CAS Registry Number: 1072-43-1
- 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: Propane, 1,2-epithio-; Propene sulfide; Propylene episulfide; Propylene sulfide; 1,2-Epithiopropane; Methylthiirane; Thiirane, 2-methyl-; 2-Methylthiacyclopropane; 2-Methylthiirane; Propylene sulphide; NSC 36643; NSC 48100
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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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
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
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to C3H6S+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Proton affinity (review) | 199.2 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 191.6 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
8.85 | PI | Traeger, 1984 | LBLHLM |
8.7 | PE | Aue and Bowers, 1979 | LLK |
8.6 ± 0.2 | EI | Hobrock and Kiser, 1962 | RDSH |
8.88 | PE | McAlduff and Houk, 1977 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CHS+ | 14.1 ± 0.2 | ? | EI | Hobrock and Kiser, 1962 | RDSH |
CH2S+ | 12.4 ± 0.3 | ? | EI | Hobrock and Kiser, 1962 | RDSH |
CH3+ | 18.1 ± 0.4 | ? | EI | Hobrock and Kiser, 1962 | RDSH |
CH3S+ | 13.5 ± 0.2 | ? | EI | Hobrock and Kiser, 1962 | RDSH |
C2H2+ | 17.7 ± 0.4 | ? | I | Hobrock and Kiser, 1962 | RDSH |
C2H2S+ | 15.6 ± 0.4 | ? | EI | Hobrock and Kiser, 1962 | RDSH |
C2H3+ | 17.2 ± 0.3 | ? | EI | Hobrock and Kiser, 1962 | RDSH |
C2H3S+ | 12.3 ± 0.3 | ? | EI | Hobrock and Kiser, 1962 | RDSH |
C3H+ | 22.2 ± 0.5 | ? | EI | Hobrock and Kiser, 1962 | RDSH |
C3H2+ | 19.2 ± 0.4 | ? | EI | Hobrock and Kiser, 1962 | RDSH |
C3H3+ | 15.9 ± 0.2 | ? | EI | Hobrock and Kiser, 1962 | RDSH |
C3H4+ | 14.4 ± 0.3 | ? | EI | Hobrock and Kiser, 1962 | RDSH |
C3H5+ | 10.66 | SH | PI | Traeger, 1984 | LBLHLM |
C3H5+ | 11.5 ± 0.2 | SH? | EI | Hobrock and Kiser, 1962 | RDSH |
C3H5S+ | 11.2 ± 0.3 | H | EI | Hobrock and Kiser, 1962 | 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.
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Traeger, 1984
Traeger, J.C.,
Heat of formation for the SH radical by photoionization mass spectrometry,
Org. Mass Spectrom., 1984, 19, 514. [all data]
Aue and Bowers, 1979
Aue, D.H.; Bowers, M.T.,
Chapter 9. Stabilities of positive ions from equilibrium gas phase basicity measurements
in Ions Chemistry,, ed. M.T. Bowers, 1979. [all data]
Hobrock and Kiser, 1962
Hobrock, B.G.; Kiser, R.W.,
Electron impact spectroscopy of propylene sulfide,
J. Phys. Chem., 1962, 66, 1551. [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 σ orbitals,
Can. J. Chem., 1977, 55, 318. [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
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