Benzene, (methylthio)-
- Formula: C7H8S
- Molecular weight: 124.203
- IUPAC Standard InChI: InChI=1S/C7H8S/c1-8-7-5-3-2-4-6-7/h2-6H,1H3
- IUPAC Standard InChIKey: HNKJADCVZUBCPG-UHFFFAOYSA-N
- CAS Registry Number: 100-68-5
- 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. - Other names: Sulfide, methyl phenyl; (Methylthio)benzene; Anisole, thio-; Methyl phenyl sulfide; Phenyl methyl sulfide; Thioanisol; Thioanisole; 1-Phenyl-1-thiaethane; Methyl phenyl sulphide; (1-Thiaethyl)benzene; Phenylthiomethane; NSC 57916
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Reaction thermochemistry 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 by: John E. Bartmess
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Individual Reactions
C7H7S- + =
By formula: C7H7S- + H+ = C7H8S
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 386.3 ± 5.1 | kcal/mol | G+TS | Ingemann and Nibbering, 1985 | gas phase; value altered from reference due to change in acidity scale |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 379.0 ± 5.0 | kcal/mol | IMRB | Ingemann and Nibbering, 1985 | gas phase; value altered from reference due to change in acidity scale |
C7H7S- + =
By formula: C7H7S- + H+ = C7H8S
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 381.5 ± 2.1 | kcal/mol | G+TS | Ingemann and Nibbering, 1985 | gas phase; value altered from reference due to change in acidity scale |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 374.2 ± 2.0 | kcal/mol | IMRE | Ingemann and Nibbering, 1985 | gas phase; value altered from reference due to change in acidity scale |
References
Go To: Top, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Ingemann and Nibbering, 1985
Ingemann, S.; Nibbering, N.M.M.,
Gas phase chemistry of alpha-thio carbanions,
Can. J. Chem., 1985, 62, 2273. [all data]
Notes
Go To: Top, Reaction thermochemistry data, References
- Symbols used in this document:
ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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