Benzenecarbothioamide
- Formula: C7H7NS
- Molecular weight: 137.202
- IUPAC Standard InChI: InChI=1S/C7H7NS/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)
- IUPAC Standard InChIKey: QIOZLISABUUKJY-UHFFFAOYSA-N
- CAS Registry Number: 2227-79-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: Benzamide, thio-; Benzothiamide; Benzothioamide; Thiobenzamide; Phenylthioamide; Tiobenzamide
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Gas phase thermochemistry data
Go To: Top, Gas phase ion energetics data, 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | 35.33 ± 0.65 | kcal/mol | Ccr | Ribeiro Da Silva, Souza, et al., 1989 | |
| ΔfH°gas | 31.31 ± 0.31 | kcal/mol | Ccr | Sabbah and Gomez, 1982 |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, 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
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.8 | EI | Grutzmacher, 1981 | LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C7H5S+ | 12.2 | NH2 | EI | Grutzmacher, 1981 | LLK |
| C7H6NS+ | 11.8 | H | EI | Grutzmacher, 1981 | LLK |
References
Go To: Top, Gas phase thermochemistry data, 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.
Ribeiro Da Silva, Souza, et al., 1989
Ribeiro Da Silva, M.D.M.C.; Souza, P.; Pilcher, G.,
Enthalpies of combustion of thiobenzamide, N,N-dimethylthiobenzamide, and N,N-diethylthiobenzamide,
J. Chem. Thermodyn., 1989, 21, 173-178. [all data]
Sabbah and Gomez, 1982
Sabbah, R.; Gomez, L.A.T.,
Thermodynamique de substances soufrees. III. Etude thermochimique de la thioacetamide et de la thiobenzamide,
Thermochim. Acta, 1982, 52, 285-295. [all data]
Grutzmacher, 1981
Grutzmacher, H.-F.,
The loss of ortho halogeno substituents from substituted thiobenzamide ions,
Org. Mass Spectrom., 1981, 16, 448. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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