2,2'-Dithienylmethane

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  • Identifiers

    CAS number
    4341-34-8

    Molecular formula
    C9H8S2

    SMILES
    C1=CSC(=C1)CC2=CC=CS2

    Safety labels

  • Odor profile

    Fragrance
    Fruity 65.75%
    Sulfurous 59.56%
    Burnt 54.57%
    Roasted 44.19%
    Meaty 43.16%
    Coffee 42.87%
    Earthy 42.42%
    Woody 41.56%
    Mushroom 40.87%
    Floral 34.22%

     

    Flavor
    Coffee 55.01%
    Roasted 50.63%
    Sulfury 47.44%
    Green 46.25%
    Vegetable 45.0%
    Meaty 40.37%
    Onion 39.87%
    Nutty 39.57%
    Sulfurous 36.54%
    Sulfur 34.63%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    5.89 (weak acid)

    Molecular weight
    180.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    269°C

    Flash point

    • 97.79 ˚C est.

  • Synonyms

    • 4341-34-8
    • 2,2'-Dithienylmethane
    • Bis(2-thienyl)methane
    • 2,2'-Methylenedithiophene
    • Di-2-Thienylmethane
    • Thiophene, 2,2'-methylenedi-
    • Thiophene, 2,2'-methylenebis-
    • DTXSID00195844
    • NSC 229880
    • RefChem:80723
    • DTXCID40118335
    • JZSRHKOFXIACDX-UHFFFAOYSA-N
    • Di(thiophen-2-yl)methane
    • 2-(2-Thiophenylmethyl)thiophene
    • 2-(thiophen-2-ylmethyl)thiophene
    • bis-(2-thienyl) methane
    • MFCD00041212
    • 2-[(thiophen-2-yl)methyl]thiophene
    • 2-(2-Thienylmethyl)thiophene
    • dithienylmethane
    • NSC229880
    • Maybridge3_006384
    • Thiophene,2'-methylenedi-
    • 2,2'-Methylenebisthiophene
    • Thiophene,2'-methylenebis-
    • 2,2'-methanediyldithiophene
    • YSZC320
    • SCHEMBL559558
    • SCHEMBL559559
    • SCHEMBL920428
    • SCHEMBL1386154
    • 2-(2-Thienylmethyl)thiophene #
    • HMS1449C04
    • STL227176
    • AKOS005170687
    • NSC-229880
    • IDI1_017771
    • ST002173
    • SY234643
    • CS-0132624
    • D5228
    • F31371
    • 341T348
    • 2-(2-Thiophenylmethyl)thiophene;2,2'-Dithienylmethane
    • 4341-34-8

  • Applications

    2,2'-Dithienylmethane (CAS 4341-34-8) is primarily used as an organic synthesis intermediate for thiophene-containing materials. It is commonly employed as a precursor to conjugated polymers and small-molecule semiconductors used in organic electronics, including OLEDs, OFETs, and organic photovoltaic devices. It also serves as a building block in the preparation of thiophene-based dyes and pigments for coatings and ink formulations, and in polymer chemistry to tailor the optical and electronic properties of materials. In research and development settings, it is used to access more complex heteroaromatic structures, with its use governed by applicable regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 35.68
    methanol 16.79
    isopropanol 37.0
    water 0.2
    ethyl acetate 121.46
    n-propanol 44.97
    acetone 175.97
    n-butanol 47.36
    acetonitrile 73.49
    DMF 192.6
    toluene 173.3
    isobutanol 40.42
    1,4-dioxane 219.03
    methyl acetate 133.47
    THF 367.53
    2-butanone 188.74
    n-pentanol 50.38
    sec-butanol 50.91
    n-hexane 16.23
    ethylene glycol 15.21
    NMP 177.37
    cyclohexane 37.59
    DMSO 161.69
    n-butyl acetate 127.58
    n-octanol 69.3
    chloroform 289.61
    n-propyl acetate 111.45
    acetic acid 46.31
    dichloromethane 258.4
    cyclohexanone 265.34
    propylene glycol 29.91
    isopropyl acetate 86.47
    DMAc 233.18
    2-ethoxyethanol 84.04
    isopentanol 47.64
    n-heptane 41.68
    ethyl formate 73.78
    1,2-dichloroethane 165.19
    n-hexanol 80.59
    2-methoxyethanol 89.11
    isobutyl acetate 93.07
    tetrachloromethane 48.32
    n-pentyl acetate 89.81
    transcutol 245.3
    n-heptanol 58.69
    ethylbenzene 103.46
    MIBK 105.54
    2-propoxyethanol 122.97
    tert-butanol 58.81
    MTBE 84.09
    2-butoxyethanol 87.53
    propionic acid 57.92
    o-xylene 115.25
    formic acid 7.13
    diethyl ether 88.1
    m-xylene 113.52
    p-xylene 126.69
    chlorobenzene 168.43
    dimethyl carbonate 67.09
    n-octane 20.82
    formamide 19.92
    cyclopentanone 325.09
    2-pentanone 148.91
    anisole 190.6
    cyclopentyl methyl ether 178.9
    gamma-butyrolactone 249.85
    1-methoxy-2-propanol 97.19
    pyridine 267.9
    3-pentanone 145.49
    furfural 238.08
    n-dodecane 20.92
    diethylene glycol 71.55
    diisopropyl ether 45.77
    tert-amyl alcohol 63.87
    acetylacetone 173.04
    n-hexadecane 24.22
    acetophenone 182.57
    methyl propionate 119.22
    isopentyl acetate 114.96
    trichloroethylene 367.92
    n-nonanol 69.13
    cyclohexanol 84.81
    benzyl alcohol 115.96
    2-ethylhexanol 81.67
    isooctanol 54.99
    dipropyl ether 132.63
    1,2-dichlorobenzene 147.85
    ethyl lactate 59.69
    propylene carbonate 153.78
    n-methylformamide 56.07
    2-pentanol 47.64
    n-pentane 14.62
    1-propoxy-2-propanol 121.85
    1-methoxy-2-propyl acetate 142.06
    2-(2-methoxypropoxy) propanol 117.13
    mesitylene 73.14
    ε-caprolactone 190.95
    p-cymene 89.29
    epichlorohydrin 272.67
    1,1,1-trichloroethane 176.04
    2-aminoethanol 26.27
    morpholine-4-carbaldehyde 211.97
    sulfolane 257.42
    2,2,4-trimethylpentane 14.77
    2-methyltetrahydrofuran 213.28
    n-hexyl acetate 119.11
    isooctane 12.0
    2-(2-butoxyethoxy)ethanol 132.02
    sec-butyl acetate 87.64
    tert-butyl acetate 106.09
    decalin 32.88
    glycerin 40.18
    diglyme 237.44
    acrylic acid 54.97
    isopropyl myristate 75.92
    n-butyric acid 73.44
    acetyl acetate 87.84
    di(2-ethylhexyl) phthalate 67.4
    ethyl propionate 105.82
    nitromethane 104.23
    1,2-diethoxyethane 151.31
    benzonitrile 147.65
    trioctyl phosphate 48.43
    1-bromopropane 109.81
    gamma-valerolactone 278.22
    n-decanol 59.98
    triethyl phosphate 66.94
    4-methyl-2-pentanol 40.56
    propionitrile 76.33
    vinylene carbonate 144.52
    1,1,2-trichlorotrifluoroethane 161.21
    DMS 96.27
    cumene 74.11
    2-octanol 50.49
    2-hexanone 145.78
    octyl acetate 87.14
    limonene 114.5
    1,2-dimethoxyethane 190.25
    ethyl orthosilicate 67.17
    tributyl phosphate 53.87
    diacetone alcohol 110.99
    N,N-dimethylaniline 145.97
    acrylonitrile 89.08
    aniline 122.13
    1,3-propanediol 36.52
    bromobenzene 198.46
    dibromomethane 175.97
    1,1,2,2-tetrachloroethane 278.84
    2-methyl-cyclohexyl acetate 117.91
    tetrabutyl urea 86.73
    diisobutyl methanol 61.31
    2-phenylethanol 117.29
    styrene 124.65
    dioctyl adipate 96.41
    dimethyl sulfate 95.84
    ethyl butyrate 124.36
    methyl lactate 60.46
    butyl lactate 69.01
    diethyl carbonate 80.18
    propanediol butyl ether 80.2
    triethyl orthoformate 91.74
    p-tert-butyltoluene 87.52
    methyl 4-tert-butylbenzoate 132.54
    morpholine 202.64
    tert-butylamine 40.26
    n-dodecanol 54.85
    dimethoxymethane 149.67
    ethylene carbonate 111.48
    cyrene 146.21
    2-ethoxyethyl acetate 117.27
    2-ethylhexyl acetate 105.15
    1,2,4-trichlorobenzene 184.27
    4-methylpyridine 237.42
    dibutyl ether 107.9
    2,6-dimethyl-4-heptanol 61.31
    DEF 139.91
    dimethyl isosorbide 218.92
    tetrachloroethylene 156.65
    eugenol 123.08
    triacetin 129.01
    span 80 104.95
    1,4-butanediol 28.16
    1,1-dichloroethane 163.16
    2-methyl-1-pentanol 53.86
    methyl formate 58.63
    2-methyl-1-butanol 47.93
    n-decane 30.16
    butyronitrile 79.3
    3,7-dimethyl-1-octanol 75.92
    1-chlorooctane 78.41
    1-chlorotetradecane 44.48
    n-nonane 27.98
    undecane 24.48
    tert-butylcyclohexane 28.57
    cyclooctane 23.27
    cyclopentanol 91.0
    tetrahydropyran 209.85
    tert-amyl methyl ether 86.35
    2,5,8-trioxanonane 186.56
    1-hexene 53.51
    2-isopropoxyethanol 81.4
    2,2,2-trifluoroethanol 26.25
    methyl butyrate 131.16

    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
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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