Thieno[2,3-b]thiophene

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  • Identifiers

    CAS number
    250-84-0

    Molecular formula
    C6H4S2

    SMILES
    C1=CSC2=C1C=CS2

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 77.55%
    Meaty 60.84%
    Burnt 60.43%
    Mushroom 45.47%
    Coffee 44.22%
    Roasted 43.99%
    Garlic 38.26%
    Earthy 37.97%
    Alliaceous 35.91%
    Nutty 35.28%

     

    Flavor
    Nutty 64.2%
    Coffee 50.61%
    Roasted 50.14%
    Vegetable 47.1%
    Sulfury 46.42%
    Meaty 40.34%
    Green 39.68%
    Rubber 35.46%
    Sulfur 35.35%
    Fishy 34.86%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    5.39 (weak acid)

    Molecular weight
    140.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    214°C

    Flash point

    • 61.71 ˚C est.

  • Synonyms

    • Thieno[2,3-b]thiophene
    • 250-84-0
    • Thieno(2,3-b)thiophene
    • 1,6-Thiophthene
    • AN68ZU79VF
    • DTXSID80179708
    • RefChem:897692
    • DTXCID00102199
    • 626-294-6
    • Liquid thiophthene
    • MFCD02824126
    • 1,6-Dithiapentalene
    • thieno[2,3-b]thiophen
    • UNII-AN68ZU79VF
    • SCHEMBL137138
    • SCHEMBL146874
    • SCHEMBL334632
    • SCHEMBL335095
    • orb2893677
    • thieno[2 pound not3-b]thiophene
    • Thieno[2,3-b]thiophene, 95%
    • CHEBI:169677
    • AKOS006281419
    • BS-43957
    • SY055352
    • T2729
    • T72164
    • 250-84-0

  • Applications

    Thieno[2,3-b]thiophene (CAS 250-84-0) serves primarily as a building block in organic electronics and materials science. It is used as a starting material or monomer unit for conjugated polymers such as poly(thieno[2,3-b]thiophene) and for small-molecule semiconductors in devices like OLEDs, OFETs, and organic photovoltaics (OPVs). It is also employed in the synthesis of more complex heterocyclic compounds and as a key intermediate in materials research to tune electronic properties. Additionally, it appears in coatings and inks for conductive or optically active formulations in industrial manufacturing. In R&D, thieno[2,3-b]thiophene is commonly evaluated for applications in flexible electronics and sensing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 14.12
    methanol 13.81
    isopropanol 10.01
    water 0.18
    ethyl acetate 22.3
    n-propanol 14.77
    acetone 23.27
    n-butanol 14.98
    acetonitrile 10.27
    DMF 56.59
    toluene 19.53
    isobutanol 10.2
    1,4-dioxane 61.15
    methyl acetate 21.11
    THF 80.34
    2-butanone 28.43
    n-pentanol 17.1
    sec-butanol 13.05
    n-hexane 4.22
    ethylene glycol 4.85
    NMP 65.31
    cyclohexane 4.45
    DMSO 43.75
    n-butyl acetate 24.9
    n-octanol 11.42
    chloroform 57.56
    n-propyl acetate 26.77
    acetic acid 14.91
    dichloromethane 52.97
    cyclohexanone 40.69
    propylene glycol 4.73
    isopropyl acetate 24.13
    DMAc 58.59
    2-ethoxyethanol 41.45
    isopentanol 14.56
    n-heptane 6.49
    ethyl formate 16.86
    1,2-dichloroethane 38.01
    n-hexanol 16.52
    2-methoxyethanol 41.18
    isobutyl acetate 22.87
    tetrachloromethane 14.69
    n-pentyl acetate 25.1
    transcutol 125.93
    n-heptanol 13.35
    ethylbenzene 18.56
    MIBK 25.97
    2-propoxyethanol 40.81
    tert-butanol 13.31
    MTBE 21.26
    2-butoxyethanol 32.15
    propionic acid 12.66
    o-xylene 18.94
    formic acid 7.82
    diethyl ether 30.62
    m-xylene 16.64
    p-xylene 18.68
    chlorobenzene 24.98
    dimethyl carbonate 16.29
    n-octane 3.66
    formamide 20.5
    cyclopentanone 54.87
    2-pentanone 27.55
    anisole 51.72
    cyclopentyl methyl ether 39.01
    gamma-butyrolactone 47.66
    1-methoxy-2-propanol 33.45
    pyridine 45.78
    3-pentanone 25.58
    furfural 68.79
    n-dodecane 3.01
    diethylene glycol 26.45
    diisopropyl ether 15.89
    tert-amyl alcohol 16.13
    acetylacetone 39.95
    n-hexadecane 3.47
    acetophenone 46.51
    methyl propionate 21.38
    isopentyl acetate 27.43
    trichloroethylene 70.52
    n-nonanol 13.69
    cyclohexanol 14.69
    benzyl alcohol 28.25
    2-ethylhexanol 16.22
    isooctanol 13.54
    dipropyl ether 32.2
    1,2-dichlorobenzene 33.76
    ethyl lactate 16.58
    propylene carbonate 29.6
    n-methylformamide 22.99
    2-pentanol 13.21
    n-pentane 3.91
    1-propoxy-2-propanol 31.24
    1-methoxy-2-propyl acetate 41.08
    2-(2-methoxypropoxy) propanol 50.64
    mesitylene 13.74
    ε-caprolactone 40.27
    p-cymene 16.45
    epichlorohydrin 70.14
    1,1,1-trichloroethane 32.38
    2-aminoethanol 10.4
    morpholine-4-carbaldehyde 91.88
    sulfolane 66.1
    2,2,4-trimethylpentane 3.26
    2-methyltetrahydrofuran 49.69
    n-hexyl acetate 26.49
    isooctane 2.88
    2-(2-butoxyethoxy)ethanol 55.65
    sec-butyl acetate 26.4
    tert-butyl acetate 35.74
    decalin 5.95
    glycerin 11.16
    diglyme 108.29
    acrylic acid 13.11
    isopropyl myristate 23.3
    n-butyric acid 18.61
    acetyl acetate 20.49
    di(2-ethylhexyl) phthalate 19.78
    ethyl propionate 25.62
    nitromethane 30.1
    1,2-diethoxyethane 62.19
    benzonitrile 23.83
    trioctyl phosphate 12.87
    1-bromopropane 23.26
    gamma-valerolactone 83.11
    n-decanol 11.5
    triethyl phosphate 24.52
    4-methyl-2-pentanol 11.64
    propionitrile 14.31
    vinylene carbonate 31.26
    1,1,2-trichlorotrifluoroethane 50.09
    DMS 27.29
    cumene 16.34
    2-octanol 10.31
    2-hexanone 31.34
    octyl acetate 21.79
    limonene 20.35
    1,2-dimethoxyethane 76.94
    ethyl orthosilicate 25.48
    tributyl phosphate 15.88
    diacetone alcohol 35.58
    N,N-dimethylaniline 43.36
    acrylonitrile 17.45
    aniline 23.01
    1,3-propanediol 16.25
    bromobenzene 26.73
    dibromomethane 34.73
    1,1,2,2-tetrachloroethane 56.63
    2-methyl-cyclohexyl acetate 35.7
    tetrabutyl urea 25.0
    diisobutyl methanol 14.79
    2-phenylethanol 29.36
    styrene 21.42
    dioctyl adipate 32.56
    dimethyl sulfate 31.63
    ethyl butyrate 32.7
    methyl lactate 15.88
    butyl lactate 20.35
    diethyl carbonate 23.01
    propanediol butyl ether 19.85
    triethyl orthoformate 31.69
    p-tert-butyltoluene 17.03
    methyl 4-tert-butylbenzoate 43.78
    morpholine 56.35
    tert-butylamine 10.74
    n-dodecanol 9.95
    dimethoxymethane 48.71
    ethylene carbonate 23.54
    cyrene 49.58
    2-ethoxyethyl acetate 40.5
    2-ethylhexyl acetate 26.17
    1,2,4-trichlorobenzene 43.63
    4-methylpyridine 39.81
    dibutyl ether 26.4
    2,6-dimethyl-4-heptanol 14.79
    DEF 40.39
    dimethyl isosorbide 105.92
    tetrachloroethylene 43.24
    eugenol 48.99
    triacetin 41.39
    span 80 36.75
    1,4-butanediol 8.77
    1,1-dichloroethane 24.05
    2-methyl-1-pentanol 17.16
    methyl formate 16.16
    2-methyl-1-butanol 13.8
    n-decane 4.56
    butyronitrile 14.41
    3,7-dimethyl-1-octanol 15.74
    1-chlorooctane 13.37
    1-chlorotetradecane 8.21
    n-nonane 3.94
    undecane 3.59
    tert-butylcyclohexane 5.97
    cyclooctane 3.27
    cyclopentanol 16.6
    tetrahydropyran 38.87
    tert-amyl methyl ether 26.19
    2,5,8-trioxanonane 96.9
    1-hexene 12.39
    2-isopropoxyethanol 33.75
    2,2,2-trifluoroethanol 10.47
    methyl butyrate 30.17

    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