1,3-Dithiolane

Formula: C₃H₆S₂
Molecular weight: 106.210
IUPAC Standard InChI: InChI=1S/C3H6S2/c1-2-5-3-4-1/h1-3H2
IUPAC Standard InChIKey: IMLSAISZLJGWPP-UHFFFAOYSA-N
CAS Registry Number: 4829-04-3
Chemical structure:
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Other names: 1,3-Dithiacyclopentane
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Phase change data

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Data compiled by: Robert L. Brown and Stephen E. Stein

Quantity	Value	Units	Method	Reference	Comment
T_boil	448.2	K	N/A	Weast and Grasselli, 1989

Gas phase ion energetics data

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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
9.0 ± 0.05	EI	Conde-Caprace and Collin, 1972	LLK
8.77	PE	Kobayashi, Gleiter, et al., 1977	Vertical value; LLK
8.75	PE	Baker, Brisk, et al., 1976	Vertical value; LLK

Appearance energy determinations

Ion	AE (eV)	Other Products	Method	Reference	Comment
CHS⁺	13. ± 0.4	CHS+CH₄?	EI	Conde-Caprace and Collin, 1972	LLK
CH₂S⁺	11. ± 0.4	?	EI	Conde-Caprace and Collin, 1972	LLK
CH₂S₂⁺	10.8 ± 0.2	C₂H₄	EI	Conde-Caprace and Collin, 1972	LLK
CH₃S⁺	11.4 ± 0.4	?	EI	Conde-Caprace and Collin, 1972	LLK
C₂H₃S⁺	10.8 ± 0.4	CH₃S	EI	Conde-Caprace and Collin, 1972	LLK
C₂H₄S⁺	11.2 ± 0.3	CH₂S	EI	Conde-Caprace and Collin, 1972	LLK
C₂H₅S⁺	11.4 ± 0.3	CHS	EI	Conde-Caprace and Collin, 1972	LLK
C₃H₅⁺	10.8 ± 0.2	S₂H	EI	Conde-Caprace and Collin, 1972	LLK
C₃H₅S⁺	10.5 ± 0.1	SH	EI	Conde-Caprace and Collin, 1972	LLK
C₃H₅S₂⁺	11.2 ± 0.2	H	EI	Conde-Caprace and Collin, 1972	LLK
S₂⁺	10.7 ± 0.1	CH₂=CHCH₃	EI	Conde-Caprace and Collin, 1972	LLK

References

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Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Conde-Caprace and Collin, 1972
Conde-Caprace, G.; Collin, J.E., Ionization and dissociation of cyclic ethers thioethers by electron-impact. A comparison between 1,3-dioxolane, 1,3-dithiolane and 1,3-oxathiolane, Org. Mass Spectrom., 1972, 6, 415. [all data]

Kobayashi, Gleiter, et al., 1977
Kobayashi, M.; Gleiter, R.; Coffen, D.L.; Bock, H.; Schulz, W.; Stein, U., Spiroconjugation in orthothiocarbonates, Tetrahedron, 1977, 33, 433. [all data]

Baker, Brisk, et al., 1976
Baker, A.D.; Brisk, M.A.; Venanzi, T.J.; Kwon, Y.S.; Sadka, S., Spiroconjugation involving sulfur 3p atomic orbitals, Tetrahedron Lett., 1976, 38, 3415. [all data]

Notes

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Symbols used in this document:

AE Appearance energy

T_boil Boiling point
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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