- Formula: C4H4S
- Molecular weight: 84.140
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: YTPLMLYBLZKORZ-UHFFFAOYSA-N
- CAS Registry Number: 110-02-1
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Thiacyclopentadiene; CP 34; Furan, thio-; Huile HSO; Huile H50; Thiaphene; Thiofuram; Thiofuran; Thiofurfuran; Thiole; Thiophen; Thiotetrole; Divinylene sulfide; USAF EK-1860; Thiofen; UN 2414; Hopkin's lactic acid reagent; NSC 405073
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Reaction thermochemistry data
Go To: Top, References, Notes
Data compiled as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
C4H3S- + =
By formula: C4H3S- + H+ = C4H4S
|rH°||1595. ± 13.||kJ/mol||G+TS||DePuy, Kass, et al., 1988||gas phase; Between MeOH, EtOH. D exchange implies anion at C-2.; B|
|rG°||1561. ± 13.||kJ/mol||IMRB||DePuy, Kass, et al., 1988||gas phase; Between MeOH, EtOH. D exchange implies anion at C-2.; B|
C4H4S+ + = (C4H4S+ )
By formula: C4H4S+ + C4H4S = (C4H4S+ C4H4S)
|rH°||70.7||kJ/mol||PHPMS||Hiraoka, Takimoto, et al., 1987||gas phase; M|
|rS°||96.7||J/mol*K||PHPMS||Hiraoka, Takimoto, et al., 1987||gas phase; M|
(C4H4S+ ) + = (C4H4S+ 2)
By formula: (C4H4S+ C4H4S) + C4H4S = (C4H4S+ 2C4H4S)
|rH°||31.||kJ/mol||PHPMS||Hiraoka, Takimoto, et al., 1987||gas phase; «DELTA»rH<; M|
C4H5S+ + = (C4H5S+ )
By formula: C4H5S+ + C4H4S = (C4H5S+ C4H4S)
|rH°||48.1||kJ/mol||PHPMS||Hiraoka, Takimoto, et al., 1987||gas phase; «DELTA»rH<; M|
Go To: Top, Reaction thermochemistry data, Notes
DePuy, Kass, et al., 1988
DePuy, C.H.; Kass, S.R.; Bean, G.P., Formation and Reactions of Heteroaromatic Anions in the Gas Phase, J. Org. Chem., 1988, 53, 19, 4427, https://doi.org/10.1021/jo00254a001 . [all data]
Hiraoka, Takimoto, et al., 1987
Hiraoka, K.; Takimoto, H.; Yamabe, S., Stabilities and Structures in Cluster Ions of Five-Membered Heterocyclic Compounds Containing O, N and S Atoms, J. Am. Chem. Soc., 1987, 109, 24, 7346, https://doi.org/10.1021/ja00258a018 . [all data]
Go To: Top, Reaction thermochemistry data, References
- Symbols used in this document:
rG° Free energy of reaction at standard conditions rH° Enthalpy of reaction at standard conditions rS° Entropy of reaction at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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