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Thioxoethenylidene

Names
IUPAC name Thioxoethenylidene
Identifiers
3D model (JSmol)	Interactive image
ChemSpider	10800798
PubChem CID	101170561
CompTox Dashboard (EPA)	DTXSID901337205
InChI InChI=1S/C2S/c1-2-3Key: NELREAXCVQVNGC-UHFFFAOYSA-N
SMILES #C
Properties
Chemical formula	C2S
Molar mass	56.08 g·mol
Related compounds
Related compounds	CS SCCS SCCCS
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Infobox references

Thioxoethenylidene, is a reactive heteroallene molecule with formula CCS.

Occurrence

CCS is found in space in large quantities. This includes the Taurus Molecular Cloud in TMC-1, TMC-1c and L1521B. These are likely in young starless molecular cloud cores.

Production

By condensing propadienedithione SCCCS or thioxopropadienone OCCCS in solid argon and irradiating with ultraviolet radiation, CCS is formed. Another way is via a glow discharge in a mixture of carbon disulfide and helium. Yet another way is through electron irradiation of sulfur containing heterocycles.

CCS and the anion CCS can be formed in solid neon matrices also.

Properties

CCS can be a ligand. It can form an asymmetrical bridge between two molybdenum atoms in Mo2(μ,σ(C):η(C′S)-CCS)(CO)₄(hydrotris(3,5-dimethylpyrazol-1-yl)borate)₂ In this one carbon atom has a triple bond to a molybdenum and the other has a double bond to the other molybdenum atom, which also has a single bond to the sulfur atom.

The ultraviolet spectrum shows absorption bands between 2800 and 3370 Å and also in the near infrared between 7500 and 10000 Å. CCS can react with CCCS to form C₅S.

The infrared spectrum in solid argon shows a vibration band at 1666.6 cm called v₁ and another called v₂ at 862.7 cm. The 2v₁ overtone is at 3311.1  cm. A combination vibration and bending band is at 2763.4 cm

The microwave spectrum has emission lines 4₃ − 3₂ at 45.4 GHz and 2₁ - 1₀ at 22.3 GHz, important for detection of molecules in molecular clouds.

Theoretical predictions show that the C-C bond is 1.304 Å long and the C–S bond is 1.550 Å.

References

1. ^ Maier, Günther; Reisenauer, Hans Peter; Ruppel, Raimund (October 2004). "Thioxoethenylidene C2S: A Matrix-Spectroscopic Study". European Journal of Organic Chemistry. 2004 (20): 4197–4202. doi:10.1002/ejoc.200400252.
2. ^ Roy, Nirupam; Datta, Abhirup; Momjian, Emmanuel; Sarma, Anuj P. (20 September 2011). "Imaging of the CCS 22.3 GHz emission in the Taurus Molecular Cloud complex". The Astrophysical Journal. 739 (1): L4. arXiv:1106.4011. Bibcode:2011ApJ...739L...4R. doi:10.1088/2041-8205/739/1/L4. S2CID 118857505.
3. Riaplov, Evgueni; Wyss, Muriel; Maier, John P; Panten, Dietmar; Chambaud, Gilberte; Rosmus, Pavel; Fabian, Juergen (November 2003). "Electronic absorption spectra of CCS− and CCS in neon matrices". Journal of Molecular Spectroscopy. 222 (1): 15–21. Bibcode:2003JMoSp.222...15R. doi:10.1016/S0022-2852(02)00050-4.
4. Caldwell, Lorraine M.; Hill, Anthony F.; Stranger, Robert; Terrett, Richard N. L.; von Nessi, Kassetra M.; Ward, Jas S.; Willis, Anthony C. (12 January 2015). "Thioxoethenylidene (CCS) as a Bridging Ligand". Organometallics. 34 (1): 328–334. doi:10.1021/om5011319. hdl:1885/13701.
5. Xie, Yaoming; Schaefer, Henry F. (March 1992). "Naked organosulfur clusters: The infrared spectrum of the C2S molecule". The Journal of Chemical Physics. 96 (5): 3714–3717. Bibcode:1992JChPh..96.3714X. doi:10.1063/1.461874.

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
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