Thioketene

Formula: C₂H₂S
Molecular weight: 58.102
IUPAC Standard InChI: InChI=1S/C2H2S/c1-2-3/h1H2
IUPAC Standard InChIKey: CWMKZYCJCZVSHO-UHFFFAOYSA-N
CAS Registry Number: 18282-77-4
Chemical structure:
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Information on this page:
Other data available:
- Reaction thermochemistry data
- Vibrational and/or electronic energy levels
Data at other public NIST sites:
- Gas Phase Kinetics Database
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Gas phase ion energetics data

Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

View reactions leading to C₂H₂S⁺ (ion structure unspecified)

Quantity	Value	Units	Method	Reference	Comment
Proton affinity (review)	826.2	kJ/mol	N/A	Hunter and Lias, 1998	HL
Quantity	Value	Units	Method	Reference	Comment
Gas basicity	795.4	kJ/mol	N/A	Hunter and Lias, 1998	HL
Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_{(+) ion}	1010.	kJ/mol	N/A	N/A
Quantity	Value	Units	Method	Reference	Comment
Δ_fH_{(+) ion,0K}	979.	kJ/mol	N/A	N/A

Ionization energy determinations

IE (eV)	Method	Reference	Comment
8.77	PE	Rosmus, Solouki, et al., 1977	LLK
8.89	PE	Rosmus, Solouki, et al., 1977	Vertical value; LLK
8.89	PE	Bock, Solouki, et al., 1977	Vertical value; LLK

De-protonation reactions

C₂HS^- + = Thioketene

By formula: C₂HS^- + H⁺ = C₂H₂S

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	1469. ± 17.	kJ/mol	G+TS	Robinson, Davico, et al., 1994	gas phase; Data listed as M.R. Krempp, personal communication, 1994; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	1436. ± 17.	kJ/mol	IMRB	Robinson, Davico, et al., 1994	gas phase; Data listed as M.R. Krempp, personal communication, 1994; B

References

Go To: Top, Gas phase ion energetics data, Notes

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]

Rosmus, Solouki, et al., 1977
Rosmus, P.; Solouki, B.; Bock, H., Ground and excited states of thioketene radical cation, H₂CCS⁺, Chem. Phys., 1977, 22, 453. [all data]

Bock, Solouki, et al., 1977
Bock, H.; Solouki, B.; Bert, G.; Rosmus, P., Unstable Intermediates.5.(1)Thioketene, J. Am. Chem. Soc., 1977, 99, 1663. [all data]

Robinson, Davico, et al., 1994
Robinson, M.S.; Davico, G.E.; Bierbaum, V.M.; Depuy, C.H., The gas phase ion/molecule chemistry of the carbon-13 labeled ketenyl and methyl ketenyl anions with CS2, COS, and CO2, Int. J. Mass Spectrom. Ion Proc., 1994, 137, 107, https://doi.org/10.1016/0168-1176(94)04030-3 . [all data]

Notes

Go To: Top, Gas phase ion energetics data, References

Symbols used in this document:

Δ_fH_{(+) ion,0K} Enthalpy of formation of positive ion at 0K

Δ_rG° Free energy of reaction at standard conditions

Δ_rH° Enthalpy of reaction at standard conditions
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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Δ_fH_{(+) ion,0K}	Enthalpy of formation of positive ion at 0K
Δ_rG°	Free energy of reaction at standard conditions
Δ_rH°	Enthalpy of reaction at standard conditions