3H-1,2-Benzodithiole-3-thione
- Formula: C7H4S3
- Molecular weight: 184.302
- IUPAC Standard InChI: InChI=1S/C7H4S3/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4H
- IUPAC Standard InChIKey: MIGJSZGTNIFSCC-UHFFFAOYSA-N
- CAS Registry Number: 3354-42-5
- 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. - Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Phase change 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 as indicated in comments:
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔsubH° | 107. ± 0.4 | kJ/mol | N/A | Geiseler and Rauh, 1972 | AC |
| ΔsubH° | 107.0 | kJ/mol | V | Geiseler and Rauh, 1972, 2 | Hf_H2SO4.115H2O=-143.885 Kcal/mol; ALS |
| ΔsubH° | 107.0 | kJ/mol | N/A | Geiseler and Rauh, 1972, 2 | DRB |
Enthalpy of sublimation
| ΔsubH (kJ/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 102.6 ± 0.4 | 355. | Geiseler and Rauh, 1972 | Based on data from 350. to 361. K.; AC |
Gas phase ion energetics data
Go To: Top, Phase change 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 |
|---|---|---|---|
| 7.9 | PE | Gonbeau, Guimon, et al., 1975 | LLK |
| 8.10 | PE | Gonbeau, Guimon, et al., 1975 | Vertical value; LLK |
References
Go To: Top, Phase change 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.
Geiseler and Rauh, 1972
Geiseler, G.; Rauh, H.J.,
Z. Phys. Chem. (Leipzig), 1972, 249, 376. [all data]
Geiseler and Rauh, 1972, 2
Geiseler, G.; Rauh, H.-J.,
Bildungsenthalpien und Mesomerieenergien von π-Bindungssystemen 3. Mitteilung: Bildungsenthalpie und Verdrillung der S-S-Bindung in Trithionen,
Z. Phys. Chem. (Leipzig), 1972, 249, 376-382. [all data]
Gonbeau, Guimon, et al., 1975
Gonbeau, D.; Guimon, C.; Deschamps, J.; Pfister-Guillouzo, G.,
Electronic structure of sulphur compounds IX. Photoelectron spectra of various 1,2-dithiole-3-thiones,
J. Electron Spectrosc. Relat. Phenom., 1975, 6, 99. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions - 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.