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Tricarbon monosulfide

Names
Preferred IUPAC name 3-Sulfanylidenepropa-1,2-dien-1-ylidene
Other names Tricarbon sulfur
Identifiers
CAS Number	109545-35-9
3D model (JSmol)	Interactive image
ChemSpider	103868963
PubChem CID	13641175
CompTox Dashboard (EPA)	DTXSID601302203
InChI InChI=1S/C3S/c1-2-3-4Key: DYOPWGBKIHJGRG-UHFFFAOYSA-N
SMILES =C=C=S
Properties
Chemical formula	C3S
Molar mass	68.09 g·mol
Related compounds
Related carbon sulfides	dicarbon monosulfide carbon monosulfide carbon disulfide
Related compounds	tricarbon monoxide carbon subnitride
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Infobox references

Tricarbon monosulfide (C₃S) or tricarbon sulfur is a reactive molecular substance that has been detected in outer space. Tricarbon monosulfide is a heterocumulene or thiocumulene, consisting of a straight chain of three carbon atoms and a terminal sulfur atom.

Properties

The dipole moment of tricarbon monosulfide is 3.704 debye. The bond lengths are 1.275 Å, for terminal C=C bond, 1.292 Å for internal bond, and 1.535 Å for the C=S bond. The similar bond lengths between the carbon atoms indicate they each have a double bond nature. The rotational constants for CCCS are B₀ = 2890.38000 MHz and D₀ = 0.00022416.

There is a characteristic infrared absorption band at 2047.5 cm due to stretching of a C=C bond.

Formation

Along with the related dicarbon monosulfide (CCS), tricarbon monosulfide was made by a glow discharge though carbon disulfide vapour in helium. Microwave emission lines from rotational transitions matched up with previously unknown molecular lines from the Taurus molecular cloud 1. Maximal concentrations occurred with a carbon disulfide pressure of 0.02 torr.

In molecular clouds, the formation mechanism is speculated to be CCS + CH → CCCS + H.

On dust grains, in space the formation mechanism is theorised to be: CCC + H₂S → C₃•HSH → CCCS + H₂ when irradiated with visible or UV light. THis reaction has been reproduced in a solid argon matrix.

Natural occurrence

Tricarbon monosulfide has been detected in molecular clouds in space, such as the Taurus molecular cloud and the Kleinmann–Low Nebula. The ratio of tricarbon monoxide to tricarbon monosulfide reflects the ratio of sulfur to oxygen in the cloud. The ratio of concentration of sulfur to oxygen analogues follows the same pattern. The clouds can be cold and dark, or warm. CCCS has also been found in the stellar envelope of carbon-rich AGB stars, including in IRC+10216.

References

1. ^ Roehr, Nathan P.; Szczepanski, Jan; Fu, Yi; Polfer, Nicolas C.; Vala, Martin (26 November 2014). "Reaction of the C₃(XΣ_g) carbon cluster with H₂S(XA₁), hydrogen sulfide: Photon-induced formation of C₃S, tricarbon sulfur". The Journal of Chemical Physics. 141 (20): 204310. Bibcode:2014JChPh.141t4310R. doi:10.1063/1.4901891. ISSN 0021-9606. PMID 25429945.
2. ^ Etim, E. E.; Onudibia, M. E.; Asuquo, J. E.; Ukafia, O. P.; Andrew, C.; Ushie, O. A. (April 2017). "Interstellar C₃S: Different Dipole Moment, Different Column Density, Same Astronomical Source" (PDF). FUW Trends in Science & Technology Journal. 2 (1B): 574–577.
3. ^ Yamamoto, Satoshi; Saito, Shuji; Kawaguchi, Kentarou; Kaifu, Norio; Suzuki, Hiriko; Ohishi, Masatoshi (15 June 1987). "Laboratory detection of a new carbon-chain molecule C3S and its astronomical identification". Astrophysical Journal. 317 (2): L119–L121. Bibcode:1987ApJ...317L.119Y. doi:10.1086/184924.
4. Saito, Shuji; Kawaguchi, Kentarou; Yamamoto, Satoshi; Ohishi, Masatoshi; Suzuki, Hiriko; Kaifu, Norio (15 June 1987). "Laboratory detection and astronomical identification of a new free radical, CCS(Σ)". Astrophysical Journal. 317: L115–L118. Bibcode:1987ApJ...317L.115S. doi:10.1086/184923.
5. Sakai, Nami; Ikeda, Masafumi; Morita, Masaru; Sakai, Takeshi; Takano, Shuro; Osamura, Yoshihiro; Yamamoto, Satoshi (10 July 2007). "Production Pathways of CCS and CCCS Inferred from Their C Isotopic Species". The Astrophysical Journal. 663 (2): 1174–1179. Bibcode:2007ApJ...663.1174S. doi:10.1086/518595.
6. ^ Tercero, B.; Cernicharo, J.; Pardo, J. R.; Goicoechea, J. R. (17 August 2010). "A line confusion limited millimeter survey of Orion-KL I. Sulfur carbon chains". Astronomy and Astrophysics. 517: A96. arXiv:1004.2711. Bibcode:2010A&A...517A..96T. doi:10.1051/0004-6361/200913501. S2CID 119251515.
7. Bell, M. B.; Avery, L. W.; Feldman, P. A. (1993). "C₃S and C₅S in IRC +10216". Astrophysical Journal Letters. 417: L37. Bibcode:1993ApJ...417L..37B. doi:10.1086/187088.

v t e Molecules detected in outer space
Molecules	Diatomic Aluminium monochloride Aluminium monofluoride Aluminium(II) oxide Argonium Carbon cation Carbon monophosphide Carbon monosulfide Carbon monoxide Cyano radical Diatomic carbon Fluoromethylidynium Helium hydride ion Hydrogen chloride Hydrogen fluoride Hydrogen (molecular) Hydroxyl radical Iron(II) oxide Magnesium monohydride Methylidyne radical Nitric oxide Nitrogen (molecular) Imidogen Sulfur mononitride Oxygen (molecular) Phosphorus monoxide Phosphorus mononitride Potassium chloride Silicon carbide Silicon monoxide Silicon monosulfide Sodium chloride Sodium iodide Sulfanyl Sulfur monoxide Titanium(II) oxide Triatomic Aluminium(I) hydroxide Aluminium isocyanide Amino radical Carbon dioxide Carbonyl sulfide CCP radical Chloronium Diazenylium Dicarbon monoxide Disilicon carbide Ethynyl radical Formyl radical Hydrogen cyanide (HCN) Hydrogen isocyanide (HNC) Hydrogen sulfide Hydroperoxyl Iron cyanide Isoformyl Magnesium cyanide Magnesium isocyanide Methylene N2H Nitrous oxide Nitroxyl Ozone Methylidynephosphane Potassium cyanide Trihydrogen cation Sodium cyanide Sodium hydroxide Silicon carbonitride c-Silicon dicarbide SiNC Sulfur dioxide Thioformyl Thioxoethenylidene Titanium dioxide Tricarbon Water Four atoms Acetylene Ammonia Isocyanic acid Cyanoethynyl Formaldehyde Fulminic acid HCCN Hydrogen peroxide Hydromagnesium isocyanide Isocyanic acid Isothiocyanic acid Ketenyl Methylene amidogen Methyl cation Methyl radical Propynylidyne Protonated carbon dioxide Protonated hydrogen cyanide Silicon tricarbide Thioformaldehyde Tricarbon monoxide Tricarbon monosulfide Thiocyanic acid Five atoms Ammonium ion Butadiynyl Carbodiimide Cyanamide Cyanoacetylene Cyanoformaldehyde Cyanomethyl Cyclopropenylidene Formic acid Isocyanoacetylene Ketene Methane Methoxy radical Methylenimine Propadienylidene Protonated formaldehyde Silane Silicon-carbide cluster Six atoms Acetonitrile Cyanobutadiynyl radical E-Cyanomethanimine Cyclopropenone Diacetylene Ethylene Formamide HC4N Ketenimine Methanethiol Methanol Methyl isocyanide Pentynylidyne Propynal Protonated cyanoacetylene Seven atoms Acetaldehyde Acrylonitrile Vinyl cyanide Cyanodiacetylene Ethylene oxide Glycolonitrile Hexatriynyl radical Propyne Methylamine Methyl isocyanate Vinyl alcohol Eight atoms Acetic acid Aminoacetonitrile Cyanoallene Ethanimine Glycolaldehyde Hexapentaenylidene Methylcyanoacetylene Methyl formate Acrolein Nine atoms Acetamide Cyanohexatriyne Dimethyl ether Ethanol Methyldiacetylene Octatetraynyl radical Propene Ethanethiol Propionitrile N-Methylformamide Ten atoms or more Acetone Benzene Benzonitrile Buckminsterfullerene (C60, C60, fullerene, buckyball) C70 fullerene Cyanodecapentayne Ethylene glycol Ethyl formate Methyl acetate Methyl-cyano-diacetylene Methyltriacetylene Propionaldehyde Butyronitrile Pyrimidine Heptatrienyl radical
Deuterated molecules	Ammonia Ammonium ion Formaldehyde Formyl radical Heavy water Hydrogen cyanide Hydrogen deuteride Hydrogen isocyanide Propyne N2D Trihydrogen cation
Unconfirmed	Anthracene Dihydroxyacetone Methoxyethane Glycine Graphene Hemolithin H2NCO Linear C5 Naphthalene cation Phosphine Pyrene Silylidyne
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• Sulfur(−II) compounds
• Heterocumulenes