2,2'-Dithenyl sulfide

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  • Identifiers

    CAS number
    15832-01-6

    Molecular formula
    C10H10S3

    SMILES
    C1=CSC(=C1)CSCC2=CC=CS2

    Safety labels

  • Odor profile

    Fragrance
    Sulfurous 60.93%
    Meaty 60.04%
    Roasted 59.57%
    Coffee 58.01%
    Earthy 52.63%
    Burnt 52.07%
    Mushroom 49.1%
    Nutty 43.02%
    Savory 41.86%
    Cooked 37.13%

     

    Flavor
    Sulfury 68.63%
    Coffee 66.2%
    Roasted 64.48%
    Meaty 61.64%
    Onion 58.18%
    Vegetable 46.63%
    Sulfurous 43.41%
    Garlic 43.11%
    Alliaceous 39.18%
    Fishy 39.15%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    4.23 (weak acid)

    Molecular weight
    226.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point

    • 118.00 °C. @ 0.04 mm Hg

    Flash point

    • 128.3 ˚C est.

  • Synonyms

    • 2,2'-Dithenyl sulfide
    • 15832-01-6
    • Dithenyl sulfide
    • 2-thenyl sulfide
    • Bis(2-thienylmethyl) sulfide
    • SCHEMBL5144954
    • DTXSID401273727
    • 2,2'-(Thiodimethylene)dithiophene, 8CI
    • 2,2'-[Sulfanediylbis(methylene)]dithiophene
    • 2,2'-[Thiobis(methylene)]bisthiophene, 9CI
    • Thiophene, 2,2a(2)-[thiobis(methylene)]bis-
    • 2-{[(thiophen-2-ylmethyl)sulfanyl]methyl}thiophene
    • 15832-01-6

  • Applications

    2,2'-Dithenyl sulfide (CAS 15832-01-6) is primarily used as an intermediate in the synthesis of sulfur-containing aryl compounds. It serves as a building block for preparing thioether derivatives via substitution or oxidation reactions. It is employed as a precursor in polymer and coating development, enabling aryl sulfide functionalities in specialty materials. It also functions as a research reagent in organosulfur chemistry and materials science, including potential applications in organic electronics and optoelectronic materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 41.2
    methanol 29.44
    isopropanol 30.47
    water 0.05
    ethyl acetate 181.78
    n-propanol 41.98
    acetone 245.5
    n-butanol 50.95
    acetonitrile 71.28
    DMF 223.61
    toluene 303.67
    isobutanol 37.66
    1,4-dioxane 468.34
    methyl acetate 153.26
    THF 681.57
    2-butanone 213.14
    n-pentanol 54.9
    sec-butanol 40.27
    n-hexane 20.37
    ethylene glycol 11.81
    NMP 311.17
    cyclohexane 61.73
    DMSO 220.94
    n-butyl acetate 178.88
    n-octanol 46.15
    chloroform 650.24
    n-propyl acetate 146.89
    acetic acid 77.82
    dichloromethane 526.05
    cyclohexanone 441.08
    propylene glycol 18.71
    isopropyl acetate 147.82
    DMAc 287.51
    2-ethoxyethanol 132.19
    isopentanol 59.35
    n-heptane 34.04
    ethyl formate 82.23
    1,2-dichloroethane 363.32
    n-hexanol 71.32
    2-methoxyethanol 145.8
    isobutyl acetate 134.26
    tetrachloromethane 81.82
    n-pentyl acetate 110.53
    transcutol 536.04
    n-heptanol 45.19
    ethylbenzene 112.38
    MIBK 162.43
    2-propoxyethanol 160.78
    tert-butanol 52.55
    MTBE 129.99
    2-butoxyethanol 99.82
    propionic acid 53.98
    o-xylene 146.15
    formic acid 17.45
    diethyl ether 166.62
    m-xylene 162.09
    p-xylene 122.68
    chlorobenzene 274.13
    dimethyl carbonate 106.26
    n-octane 13.97
    formamide 33.38
    cyclopentanone 473.46
    2-pentanone 211.25
    anisole 245.22
    cyclopentyl methyl ether 360.96
    gamma-butyrolactone 363.4
    1-methoxy-2-propanol 117.58
    pyridine 445.25
    3-pentanone 198.36
    furfural 386.56
    n-dodecane 11.01
    diethylene glycol 104.01
    diisopropyl ether 80.84
    tert-amyl alcohol 58.48
    acetylacetone 307.14
    n-hexadecane 13.34
    acetophenone 224.32
    methyl propionate 159.08
    isopentyl acetate 169.09
    trichloroethylene 787.43
    n-nonanol 48.63
    cyclohexanol 105.06
    benzyl alcohol 133.02
    2-ethylhexanol 76.68
    isooctanol 46.29
    dipropyl ether 166.48
    1,2-dichlorobenzene 244.84
    ethyl lactate 70.79
    propylene carbonate 217.02
    n-methylformamide 65.95
    2-pentanol 47.2
    n-pentane 20.13
    1-propoxy-2-propanol 139.5
    1-methoxy-2-propyl acetate 233.47
    2-(2-methoxypropoxy) propanol 140.37
    mesitylene 100.69
    ε-caprolactone 308.5
    p-cymene 83.83
    epichlorohydrin 525.44
    1,1,1-trichloroethane 337.59
    2-aminoethanol 23.74
    morpholine-4-carbaldehyde 404.31
    sulfolane 391.31
    2,2,4-trimethylpentane 19.15
    2-methyltetrahydrofuran 358.82
    n-hexyl acetate 125.73
    isooctane 15.63
    2-(2-butoxyethoxy)ethanol 184.98
    sec-butyl acetate 128.98
    tert-butyl acetate 187.01
    decalin 38.36
    glycerin 42.99
    diglyme 382.64
    acrylic acid 60.95
    isopropyl myristate 71.65
    n-butyric acid 101.14
    acetyl acetate 156.85
    di(2-ethylhexyl) phthalate 70.04
    ethyl propionate 128.58
    nitromethane 166.88
    1,2-diethoxyethane 237.78
    benzonitrile 179.41
    trioctyl phosphate 43.4
    1-bromopropane 186.89
    gamma-valerolactone 576.4
    n-decanol 38.46
    triethyl phosphate 85.98
    4-methyl-2-pentanol 47.04
    propionitrile 71.76
    vinylene carbonate 212.21
    1,1,2-trichlorotrifluoroethane 334.9
    DMS 142.12
    cumene 74.43
    2-octanol 34.9
    2-hexanone 163.86
    octyl acetate 78.54
    limonene 125.72
    1,2-dimethoxyethane 298.9
    ethyl orthosilicate 88.28
    tributyl phosphate 56.34
    diacetone alcohol 153.21
    N,N-dimethylaniline 159.38
    acrylonitrile 92.57
    aniline 190.85
    1,3-propanediol 43.97
    bromobenzene 342.72
    dibromomethane 364.27
    1,1,2,2-tetrachloroethane 586.17
    2-methyl-cyclohexyl acetate 152.66
    tetrabutyl urea 80.86
    diisobutyl methanol 61.93
    2-phenylethanol 135.1
    styrene 158.45
    dioctyl adipate 105.44
    dimethyl sulfate 172.98
    ethyl butyrate 165.05
    methyl lactate 73.69
    butyl lactate 81.09
    diethyl carbonate 108.75
    propanediol butyl ether 81.61
    triethyl orthoformate 138.34
    p-tert-butyltoluene 83.26
    methyl 4-tert-butylbenzoate 154.67
    morpholine 377.25
    tert-butylamine 39.31
    n-dodecanol 32.61
    dimethoxymethane 239.74
    ethylene carbonate 170.81
    cyrene 186.35
    2-ethoxyethyl acetate 189.91
    2-ethylhexyl acetate 156.26
    1,2,4-trichlorobenzene 320.39
    4-methylpyridine 356.22
    dibutyl ether 109.38
    2,6-dimethyl-4-heptanol 61.93
    DEF 209.65
    dimethyl isosorbide 289.01
    tetrachloroethylene 375.59
    eugenol 140.9
    triacetin 174.57
    span 80 125.55
    1,4-butanediol 25.89
    1,1-dichloroethane 274.89
    2-methyl-1-pentanol 65.15
    methyl formate 71.72
    2-methyl-1-butanol 55.08
    n-decane 18.33
    butyronitrile 87.89
    3,7-dimethyl-1-octanol 58.05
    1-chlorooctane 61.44
    1-chlorotetradecane 30.89
    n-nonane 17.17
    undecane 13.59
    tert-butylcyclohexane 31.7
    cyclooctane 31.41
    cyclopentanol 92.66
    tetrahydropyran 398.28
    tert-amyl methyl ether 131.29
    2,5,8-trioxanonane 264.6
    1-hexene 66.53
    2-isopropoxyethanol 113.07
    2,2,2-trifluoroethanol 42.2
    methyl butyrate 160.28

    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