This is a list of molecules that have been detected in the interstellar medium and circumstellar envelopes, grouped by the number of component atoms. The chemical formula is listed for each detected compound, along with any ionized form that has also been observed.

Background

The molecules listed below were detected through astronomical spectroscopy. Their spectral features arise because molecules either absorb or emit a photon of light when they transition between two molecular energy levels. The energy (and thus the wavelength) of the photon matches the energy difference between the levels involved. Molecular electronic transitions occur when one of the molecule's electrons moves between molecular orbitals, producing a spectral line in the ultraviolet, optical or near-infrared parts of the electromagnetic spectrum. Alternatively, a vibrational transition transfers quanta of energy to (or from) vibrations of molecular bonds, producing signatures in the mid- or far-infrared. Gas-phase molecules also have quantised rotational levels, leading to transitions at microwave or radio wavelengths.

Sometimes a transition can involve more than one of these types of energy level e.g. ro-vibrational spectroscopy changes both the rotational and vibrational energy level. Occasionally all three occur together, as in the Phillips band of C2 (diatomic carbon), in which an electronic transition produces a line in the near-infrared, which is then split into several vibronic bands by a simultaneous change in vibrational level, which in turn are split again into rotational branches.

The spectrum of a particular molecule is governed by the selection rules of quantum chemistry and by its molecular symmetry. Some molecules have simple spectra which are easy to identify, whilst others (even some small molecules) have extremely complex spectra with flux spread among many different lines, making them far harder to detect. Interactions between the atomic nuclei and the electrons sometimes cause further hyperfine structure of the spectral lines. If the molecule exists in multiple isotopologues (versions containing different atomic isotopes), the spectrum is further complicated by isotope shifts.

Detection of a new interstellar or circumstellar molecule requires identifying a suitable astronomical object where it is likely to be present, then observing it with a telescope equipped with a spectrograph working at the required wavelength, spectral resolution and sensitivity. The first molecule detected in the interstellar medium was the methylidyne radical (CH•) in 1937, through its strong electronic transition at 4300 angstroms (in the optical). Advances in astronomical instrumentation have led to increasing numbers of new detections. From the 1950s onwards, radio astronomy began to dominate new detections, with sub-mm astronomy also becoming important from the 1990s.

The inventory of detected molecules is highly biased towards certain types which are easier to detect. For example, radio astronomy is most sensitive to small linear molecules with a high molecular dipole. The most common molecule in the Universe, H2 (molecular hydrogen), is completely invisible to radio telescopes because it has no dipole; its electronic transitions are too energetic for optical telescopes, so detection of H2 required ultraviolet observations with a sounding rocket. Vibrational lines are often not specific to an individual molecule, allowing only the general class to be identified. For example, the vibrational lines of polycyclic aromatic hydrocarbons (PAHs) were identified in 1984, showing the class of molecules is very common in space, but it took until 2021 to identify any specific PAHs through their rotational lines.

One of the richest sources for detecting interstellar molecules is Sagittarius B2 (Sgr B2), a giant molecular cloud near the centre of the Milky Way. About half of the molecules listed below were first found in Sgr B2, and many of the others have been subsequently detected there. Many of the largest molecules were first detected in another molecular cloud, TMC-1. A rich source of circumstellar molecules is CW Leonis (also known as IRC +10216), a nearby carbon star, where about 50 molecules have been identified. There is no clear boundary between interstellar and circumstellar media, so both are included in the tables below.

The discipline of astrochemistry includes understanding how these molecules form and explaining their abundances. The extremely low density of the interstellar medium is not conducive to the formation of molecules, making conventional gas-phase reactions between neutral species (atoms or molecules) inefficient. Many regions also have very low temperatures (typically 10 kelvin inside a molecular cloud), further reducing the reaction rates, or high ultraviolet radiation fields, which destroy molecules through photochemistry. Explaining the observed abundances of interstellar molecules requires calculating the balance between formation and destruction rates using gas-phase ion chemistry (often driven by cosmic rays), surface chemistry on cosmic dust, radiative transfer including interstellar extinction, and sophisticated reaction networks. The use of molecular lines to determine the physical properties of astronomical objects is known as molecular astrophysics.

Molecules The following tables list molecules that have been detected in the interstellar medium or circumstellar matter, grouped by the number of component atoms. Neutral molecules and their molecular ions are listed in separate columns; if there is no entry in the molecule column, only the ionized form has been detected. Designations (names of molecules) are those used in the scientific literature describing the detection; if none was given that field is left empty. Mass is listed in daltons. Deuterated molecules, which contain at least one deuterium (2H) atom, have slightly different masses and are listed in a separate table. The total number of unique species, including distinct ionization states, is indicated in each section header.

Most of the molecules detected so far are organic. The only detected inorganic molecule with five or more atoms is SiH4. Molecules larger than that all have at least one carbon atom, with no N−N or O−O bonds.

Diatomic (45)

MoleculeDesignationMassIonsAlClAluminium monochloride62.5—AlFAluminium monofluoride46—AlOAluminium monoxide43——Argonium37On Earth, the dominant isotope of argon is 40Ar, so ArH+ would have a mass of 41 amu. However, the interstellar detection was of the 36ArH+ isotopologue, which has a mass of 37 amu.ArH+C2Diatomic carbon24——Fluoromethylidynium31CF+CHMethylidyne radical13CH+CNCyano radical26CN+, CN−COCarbon monoxide28CO+CPCarbon monophosphide43—CSCarbon monosulfide44—FeOIron(II) oxide82——Helium hydride ion5HeH+H2Molecular hydrogen2—HClHydrogen chloride36.5HCl+HFHydrogen fluoride20—HOHydroxyl radical17OH+KClPotassium chloride75.5—NHImidogen radical15—N2Molecular nitrogen28—NONitric oxide30NO+NSNitrogen sulfide46—NaClSodium chloride58.5——Magnesium monohydride cation25.3MgH+O2Molecular oxygen32—PNPhosphorus mononitride45—POPhosphorus monoxide47—SHSulfur monohydride33SH+SOSulfur monoxide48SO+SiCCarborundum40—SiN–42—SiOSilicon monoxide44—NaSSodium sulfide55—MgSMagnesium sulfide56—SiSSilicon monosulfide60—TiOTitanium(II) oxide64—

Triatomic (45)

MoleculeDesignationMassIonsAlNCAluminium isocyanide53—AlOHAluminium hydroxide44—C3Tricarbon36—C2HEthynyl radical25—CCNCyanomethylidyne38—C2ODicarbon monoxide40—C2SThioxoethenylidene56—C2P—55—CO2Carbon dioxide44—CaNC Calcium(I) isocyanide66— FeCNIron(I) cyanide82——Protonated molecular hydrogen3H2CMethylene radical14——Chloronium37.5H2Cl+H2OWater18H2O+HO2Hydroperoxyl33—H2SHydrogen sulfide34—HCNHydrogen cyanide27—HNCHydrogen isocyanide27—HCOFormyl radical29HCO+HCPPhosphaethyne44—HCSThioformyl45HCS+—Diazenylium29HNONitroxyl31——Isoformyl29HOC+HSCIsothioformyl45—KCNPotassium cyanide65—MgCNMagnesium(I) cyanide50—MgNCMagnesium(I) isocyanide50—NH2Amino radical16—N2ONitrous oxide44—NaCNSodium cyanide49—NaOHSodium hydroxide40—OCSCarbonyl sulfide60—O3Ozone48—SO2Sulfur dioxide64—c-SiC2c-Silicon dicarbide<ref name="aass226" />52—SiCSiDisilicon carbide68—SiCNSilicon carbonitride54—SiNC54—CaC2Calcium dicarbide64—TiO2Titanium dioxide79.9—

Four atoms (31)

MoleculeDesignationMassIonsCH3Methyl radical15l-C3HPropynylidyne37l-C3H+c-C3HCyclopropynylidyne37—C3NCyanoethynyl50C3N−C3OTricarbon monoxide52—C3STricarbon sulfide68——Hydronium19H3O+C2H2Acetylene26—H2CNMethylene amidogen28H2CN+H2NCAminocarbyne28—H2COFormaldehyde30—H2CSThioformaldehyde46—HCCN—39—HCCOKetenyl41——Protonated hydrogen cyanide28HCNH+—Protonated carbon dioxide45HOCO+HCNOFulminic acid43—HOCNCyanic acid43—CNCN Isocyanogen52—HOOHHydrogen peroxide34—HNCOIsocyanic acid43—HNCNCyanomidyl radical41—HNCSIsothiocyanic acid59—NH3Ammonia17—HSCNThiocyanic acid59—HNSOThionylimide63—SiC3Silicon tricarbide64—HMgNCHydromagnesium isocyanide51.3—HNO2Nitrous acid47—

Five atoms (21)

MoleculeDesignationMassIons—Ammonium ion18CH4Methane16—CH3OMethoxy radical31—c-C3H2Cyclopropenylidene38—l-H2C3Propadienylidene38—H2CCNCyanomethyl40—H2C2OKetene42—H2CNHMethylenimine29—HNCNHCarbodiimide42——Protonated formaldehyde31H2COH+C4HButadiynyl49C4H−HC3NCyanoacetylene51—HCC-NCIsocyanoacetylene51—HCOOHFormic acid46—NH2CNCyanamide42—NH2OHHydroxylamine37——Protonated cyanogen53NCCNH+HC(O)CNCyanoformaldehyde55—C5Linear C560—HCS2Hdithioformic acid78—SiC4Silicon-carbide cluster92—SiH4Silane32—

Six atoms (16)

+MoleculeDesignationMassIonsc-H2C3OCyclopropenone54—E-HNCHCNE-Cyanomethanimine54—C2H4Ethylene28—CH3CNAcetonitrile40—CH3NCMethyl isocyanide40—CH3OHMethanolFirst Detection of Methyl Alcohol in a Planet-forming Disc. 15 June 2016.32—CH3SHMethanethiol48—l-H2C4Diacetylene50——Protonated cyanoacetylene52HC3NH+HCONH2Formamide44—HOCOOHCarbonic acid —C5HPentynylidyne61—C5NCyanobutadiynyl radical74—HC2CHOPropynal54—HC4N— 63—CH2CNHKetenimine40—C5S—92—

Seven atoms (16)

MoleculeDesignationMassIonsc-C2H4OEthylene oxide44—CH3C2HMethylacetylene40—H3CNH2Methylamine31—CH2CHCNAcrylonitrile53—HCCCHNHPropargylimine53—H2CHCOHVinyl alcohol44—C6HHexatriynyl radical73C6H−HC4CNCyanodiacetylene75—HC4NCIsocyanodiacetylene75—HC5O—77—CH3CHOAcetaldehyde44—CH3CHSThioacetaldehyde60—CH3NCOMethyl isocyanate57—HOCH2CNGlycolonitrile57—HC3HCN1-cyano propargyl radical64—CH2C3N3-cyano propargyl radical64—

Eight atoms (14)

MoleculeDesignationMassH3CC2CNMethylcyanoacetylene65HC3H2CNPropargyl cyanide65H2COHCHOGlycolaldehyde60(CHOH)21,2-ethenediol60HCOOCH3Methyl formate60CH3COOHAcetic acid60H2C6Hexapentaenylidene74CH2CHCHOPropenal56CH2CCHCNCyanoallene65CH3CHNHEthanimine43C2H3NH2Vinylamine43C7HHeptatrienyl radical85NH2CH2CNAminoacetonitrile56(NH2)2COUrea60

Nine atoms (11)

MoleculeDesignationMassIonsCH3C4HMethyldiacetylene64—CH3OCH3Dimethyl ether46—CH3CH2CNPropionitrile55—CH3CONH2Acetamide59—CH3CH2OHEthanol46—C8HOctatetraynyl radical97C8H−HC7NCyanohexatriyne or Cyanotriacetylene99—CH3CHCH2Propylene (propene)42—CH3CH2SHEthyl mercaptan62—CH3SCH3Dimethyl sulfide62—CH3NHCHON-methylformamide59—

Ten or more atoms (29)

AtomsMoleculeDesignationMassIons10(CH3)2COAcetone58—10(CH2OH)2Ethylene glycol62—10CH3CH2CHOPropanal58—10CH3OCH2OHMethoxymethanol62—10CH3C5NMethylcyanodiacetylene89—10CH3CHCH2O Propylene oxide58—11NH2CH2CH2OHEthanolamine61—11HC8CNCyanotetraacetylene123—11C2H5OCHOEthyl formate74—11CH3COOCH3Methyl acetate74—11CH3C6HMethyltriacetylene88—12C6H6Benzene78—12C3H7CNn-Propyl cyanide69—12 (CH3)2CHCN iso-Propyl cyanide69—13CH3OCH2CH2OH2-methoxyethanol76—13 Benzonitrile104—13HC10CNCyanopentaacetylene147—14C4H8O4Erythrulose120—17C9H8Indene116—19C10H7CN1-cyanonaphthalene153—19C10H7CN2-cyanonaphthalene153—21C12H7CN 1-cyanoacenaphtylene177—21C12H7CN 5-cyanoacenaphtylene177—27C16H9CN 1-cyanopyrene227—27C16H9CN 2-cyanopyrene227—27C16H9CN 4-cyanopyrene227—37C24H11CN cyanocoronene325—60C60Buckminsterfullerene(C60 fullerene)72070C70C70 fullerene840—