2-(2'-Thienyl)pyridine

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  • Identifiers

    CAS number
    3319-99-1

    Molecular formula
    C9H7NS

    SMILES
    C1=CC=NC(=C1)C2=CC=CS2

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 69.42%
    Burnt 63.9%
    Meaty 63.15%
    Nutty 57.48%
    Roasted 56.18%
    Coffee 55.24%
    Earthy 41.52%
    Vegetable 41.45%
    Alliaceous 38.82%
    Beefy 36.96%

     

    Flavor
    Nutty 63.52%
    Coffee 57.5%
    Roasted 56.84%
    Sulfury 48.61%
    Vegetable 45.42%
    Fishy 42.47%
    Rubber 41.55%
    Meaty 39.83%
    Meat 37.15%
    Roast 36.62%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    4.96 (weak acid)

    Molecular weight
    161.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    274°C

    Flash point

    • 99.64 ˚C est.

    Solubility expt.

    • 1.9 [ug/mL] (The mean of the results at pH 7.4)

  • Synonyms

    • 2-(2'-Thienyl)pyridine
    • RefChem:454460
    • 2-(2-Thienyl)pyridine
    • 2-(Thiophen-2-yl)pyridine
    • 3319-99-1
    • 2-thien-2-ylpyridine
    • 2-(2-Pyridyl)thiophene
    • 2-thiophen-2-ylpyridine
    • 2-thiophen-2-yl-pyridine
    • MFCD00044441
    • Pyridine, 2-(2-thienyl)-
    • 2-(thien-2-yl)pyridine
    • thienyl pyridine
    • 2-thienylpyridine
    • EINECS 222-022-1
    • 2-Pyrid-2-ylthiophene
    • SCHEMBL36011
    • MLS000861939
    • SCHEMBL295633
    • SCHEMBL1201661
    • SCHEMBL1989627
    • SCHEMBL4183091
    • SCHEMBL4576900
    • SCHEMBL6617218
    • CHEMBL1883714
    • SCHEMBL21295645
    • SCHEMBL30596386
    • QLPKTAFPRRIFQX-UHFFFAOYSA-
    • DTXSID90186842
    • HMS1668K07
    • HMS2808F21
    • CCG-45308
    • SBB087542
    • AKOS004118943
    • AS-5588
    • CS-W013265
    • SB52410
    • NCGC00246701-01
    • SMR000460723
    • SY049733
    • DB-021535
    • NS00029433
    • ST50407898
    • T2936
    • D77745
    • EN300-103801
    • 319T991
    • F017372
    • SR-01000635085-1
    • InChI=1/C9H7NS/c1-2-6-10-8(4-1)9-5-3-7-11-9/h1-7H
    • 3319-99-1

  • Applications

    2-(2'-Thienyl)pyridine (CAS 3319-99-1) is used as a building block and intermediate for the synthesis of heteroaryl compounds containing pyridine and thiophene motifs, with common applications in pharmaceuticals and agrochemicals. Its coordinating potential via the pyridine N and the thienyl moiety makes it a useful ligand precursor for metal-catalyzed processes and related transformations. It also serves as a building block for functional materials in electronics and photonics based on the thienyl–pyridine motif, including potential use in OLEDs and conductive polymers. Additionally, it may be employed as a precursor for dye synthesis and for coatings/inks formulations, and can be explored as a scaffold for heterocyclic compounds in research settings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 100.98
    methanol 81.93
    isopropanol 73.7
    water 0.68
    ethyl acetate 128.88
    n-propanol 90.5
    acetone 254.25
    n-butanol 86.22
    acetonitrile 125.11
    DMF 509.19
    toluene 165.22
    isobutanol 74.63
    1,4-dioxane 253.96
    methyl acetate 146.46
    THF 386.84
    2-butanone 202.09
    n-pentanol 87.79
    sec-butanol 75.13
    n-hexane 19.86
    ethylene glycol 47.6
    NMP 388.17
    cyclohexane 42.54
    DMSO 573.99
    n-butyl acetate 146.78
    n-octanol 100.93
    chloroform 463.56
    n-propyl acetate 133.72
    acetic acid 108.42
    dichloromethane 543.13
    cyclohexanone 326.62
    propylene glycol 52.67
    isopropyl acetate 86.53
    DMAc 360.12
    2-ethoxyethanol 138.85
    isopentanol 75.52
    n-heptane 48.53
    ethyl formate 137.38
    1,2-dichloroethane 316.38
    n-hexanol 118.74
    2-methoxyethanol 171.64
    isobutyl acetate 95.76
    tetrachloromethane 81.03
    n-pentyl acetate 111.14
    transcutol 385.09
    n-heptanol 82.13
    ethylbenzene 100.7
    MIBK 112.54
    2-propoxyethanol 168.9
    tert-butanol 85.0
    MTBE 81.95
    2-butoxyethanol 120.53
    propionic acid 100.37
    o-xylene 116.53
    formic acid 23.15
    diethyl ether 105.92
    m-xylene 111.63
    p-xylene 121.03
    chlorobenzene 214.05
    dimethyl carbonate 107.18
    n-octane 23.3
    formamide 61.43
    cyclopentanone 399.47
    2-pentanone 169.65
    anisole 175.88
    cyclopentyl methyl ether 178.94
    gamma-butyrolactone 368.41
    1-methoxy-2-propanol 136.58
    pyridine 319.17
    3-pentanone 150.89
    furfural 336.73
    n-dodecane 23.7
    diethylene glycol 137.78
    diisopropyl ether 45.13
    tert-amyl alcohol 79.26
    acetylacetone 194.0
    n-hexadecane 26.66
    acetophenone 181.28
    methyl propionate 143.06
    isopentyl acetate 122.45
    trichloroethylene 561.51
    n-nonanol 91.28
    cyclohexanol 107.81
    benzyl alcohol 142.3
    2-ethylhexanol 101.65
    isooctanol 70.32
    dipropyl ether 148.24
    1,2-dichlorobenzene 196.86
    ethyl lactate 87.58
    propylene carbonate 221.92
    n-methylformamide 169.84
    2-pentanol 63.12
    n-pentane 21.71
    1-propoxy-2-propanol 143.45
    1-methoxy-2-propyl acetate 133.55
    2-(2-methoxypropoxy) propanol 135.63
    mesitylene 72.98
    ε-caprolactone 227.4
    p-cymene 87.24
    epichlorohydrin 361.84
    1,1,1-trichloroethane 239.38
    2-aminoethanol 65.34
    morpholine-4-carbaldehyde 348.68
    sulfolane 466.77
    2,2,4-trimethylpentane 14.98
    2-methyltetrahydrofuran 227.68
    n-hexyl acetate 147.33
    isooctane 12.91
    2-(2-butoxyethoxy)ethanol 172.94
    sec-butyl acetate 82.11
    tert-butyl acetate 92.36
    decalin 30.32
    glycerin 81.96
    diglyme 324.51
    acrylic acid 102.13
    isopropyl myristate 82.37
    n-butyric acid 129.44
    acetyl acetate 89.82
    di(2-ethylhexyl) phthalate 80.06
    ethyl propionate 117.77
    nitromethane 197.86
    1,2-diethoxyethane 174.51
    benzonitrile 200.24
    trioctyl phosphate 63.26
    1-bromopropane 173.9
    gamma-valerolactone 357.75
    n-decanol 78.01
    triethyl phosphate 73.31
    4-methyl-2-pentanol 47.45
    propionitrile 132.54
    vinylene carbonate 226.15
    1,1,2-trichlorotrifluoroethane 215.59
    DMS 118.55
    cumene 73.66
    2-octanol 67.42
    2-hexanone 152.78
    octyl acetate 98.3
    limonene 114.23
    1,2-dimethoxyethane 287.49
    ethyl orthosilicate 68.54
    tributyl phosphate 68.51
    diacetone alcohol 117.72
    N,N-dimethylaniline 136.97
    acrylonitrile 170.12
    aniline 144.39
    1,3-propanediol 83.14
    bromobenzene 244.6
    dibromomethane 378.27
    1,1,2,2-tetrachloroethane 375.25
    2-methyl-cyclohexyl acetate 114.54
    tetrabutyl urea 112.92
    diisobutyl methanol 68.85
    2-phenylethanol 138.11
    styrene 127.69
    dioctyl adipate 110.07
    dimethyl sulfate 170.5
    ethyl butyrate 136.11
    methyl lactate 97.11
    butyl lactate 93.79
    diethyl carbonate 96.09
    propanediol butyl ether 120.04
    triethyl orthoformate 94.02
    p-tert-butyltoluene 77.3
    methyl 4-tert-butylbenzoate 141.49
    morpholine 229.71
    tert-butylamine 60.24
    n-dodecanol 67.31
    dimethoxymethane 260.5
    ethylene carbonate 174.13
    cyrene 163.35
    2-ethoxyethyl acetate 137.06
    2-ethylhexyl acetate 105.63
    1,2,4-trichlorobenzene 211.55
    4-methylpyridine 274.74
    dibutyl ether 129.88
    2,6-dimethyl-4-heptanol 68.85
    DEF 219.08
    dimethyl isosorbide 218.89
    tetrachloroethylene 244.84
    eugenol 149.59
    triacetin 144.61
    span 80 126.81
    1,4-butanediol 61.79
    1,1-dichloroethane 255.16
    2-methyl-1-pentanol 79.49
    methyl formate 161.03
    2-methyl-1-butanol 73.35
    n-decane 33.53
    butyronitrile 137.3
    3,7-dimethyl-1-octanol 91.48
    1-chlorooctane 99.54
    1-chlorotetradecane 50.62
    n-nonane 32.42
    undecane 27.72
    tert-butylcyclohexane 25.29
    cyclooctane 20.59
    cyclopentanol 126.66
    tetrahydropyran 226.37
    tert-amyl methyl ether 77.97
    2,5,8-trioxanonane 234.11
    1-hexene 66.96
    2-isopropoxyethanol 112.39
    2,2,2-trifluoroethanol 51.01
    methyl butyrate 160.98

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction