2-Amino-4,5-dimethylthiazole hydrobromide

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  • Identifiers

    CAS number
    7170-76-5

    Molecular formula
    C5H9BrN2S

    SMILES
    CC1=C(SC(=N1)N)C.Br

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Roasted 72.33%
    Meaty 71.78%
    Nutty 69.9%
    Cocoa 47.56%
    Burnt 47.0%
    Sulfurous 45.78%
    Coffee 45.51%
    Hazelnut 41.95%
    Beefy 40.37%
    Earthy 39.79%

     

    Flavor
    Nutty 64.97%
    Roasted 60.76%
    Cocoa 51.33%
    Coffee 48.04%
    Roast 41.95%
    Hazelnut 40.92%
    Burnt 40.8%
    Musty 39.92%
    Vegetable 39.82%
    Meaty 39.61%

     

    Odor impact est.
    Medium

  • Properties

    pKa est.
    5.97 (weak acid)

    Molecular weight
    209.11 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    220°C

    Flash point

    • 96.54 ˚C est.

  • Synonyms

    • 7170-76-5
    • 2-Amino-4,5-dimethylthiazole hydrobromide
    • 4,5-dimethylthiazol-2-amine hydrobromide
    • 4,5-dimethyl-1,3-thiazol-2-amine hydrobromide
    • Thiazole, 2-amino-4,5-dimethyl-, hydrobromide
    • 2-Thiazolamine, 4,5-dimethyl-, monohydrobromide
    • UNII-NM8HVB696P
    • NM8HVB696P
    • NSC 117331
    • EINECS 230-523-1
    • NSC-117331
    • AI3-61413
    • DTXSID6064583
    • 2-Thiazolamine, 4,5-dimethyl-, hydrobromide (1:1)
    • 2-AMINO-4,5-DIMETHYLTHIAZOLE HBR
    • 2-THIAZOLAMINE, 4,5-DIMETHYL-, HYDROBROMIDE
    • RefChem:85153
    • DTXCID9047097
    • 2-AMINO-4,5-DIMETHYLTHIAZOLE HBR [INCI]
    • Thiazole, 2-amino-4,5-dimethyl-, hydrobromide (8CI)
    • 230-523-1
    • C5H9BrN2S
    • 4,5-dimethyl-1,3-thiazol-2-amine;hydrobromide
    • MFCD00035212
    • DIMETHYL-1,3-THIAZOL-2-AMINE HYDROBROMIDE
    • NSC117331
    • 4,5-Dimethylthiazol-2-amine monohydrobromide
    • SCHEMBL2015236
    • WLZ3970
    • Thiazole,5-dimethyl-, hydrobromide
    • SBB028421
    • AKOS015902818
    • 4,5-dimethylthiazol-2-aminehydrobromide
    • 4,5-dimethylthiazol-2-amine;hydrobromide
    • AS-64528
    • SY057074
    • DB-020409
    • 2-Thiazolamine,5-dimethyl-, monohydrobromide
    • CS-0186917
    • NS00044364
    • ST50408612
    • D88503
    • A837300
    • F626512
    • Q27284951
    • F0001-1838
    • 4,5-Dimethyl-1,3-thiazol-2-amine--hydrogen bromide (1/1)
    • 7170-76-5

  • Applications

    2-Amino-4,5-dimethylthiazole hydrobromide (CAS 7170-76-5) is typically used as an intermediate and building block in organic synthesis, with applications in pharmaceutical and agrochemical discovery and development; it provides a convenient thiazole-containing motif for the preparation of more complex drug and crop-protection agents. In industrial manufacturing it is used as a reagent or precursor in synthetic workflows where a protonated thiazole salt is advantageous for handling or solubility; it is also employed in research settings to generate libraries of heterocyclic compounds and to access functionalized thiazole derivatives. The use of this salt is usually guided by formulation and regulatory constraints in each jurisdiction.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 283.58
    methanol 464.31
    isopropanol 185.84
    water 92.45
    ethyl acetate 162.01
    n-propanol 193.27
    acetone 259.39
    n-butanol 165.19
    acetonitrile 163.59
    DMF 418.8
    toluene 50.57
    isobutanol 121.75
    1,4-dioxane 242.94
    methyl acetate 158.84
    THF 433.9
    2-butanone 170.03
    n-pentanol 98.56
    sec-butanol 147.54
    n-hexane 5.22
    ethylene glycol 133.96
    NMP 305.8
    cyclohexane 5.18
    DMSO 299.49
    n-butyl acetate 61.61
    n-octanol 47.89
    chloroform 202.55
    n-propyl acetate 58.12
    acetic acid 263.8
    dichloromethane 154.62
    cyclohexanone 160.56
    propylene glycol 140.05
    isopropyl acetate 86.25
    DMAc 287.71
    2-ethoxyethanol 205.49
    isopentanol 105.83
    n-heptane 6.96
    ethyl formate 131.33
    1,2-dichloroethane 88.95
    n-hexanol 93.76
    2-methoxyethanol 421.02
    isobutyl acetate 38.53
    tetrachloromethane 50.78
    n-pentyl acetate 59.05
    transcutol 215.05
    n-heptanol 62.68
    ethylbenzene 14.47
    MIBK 80.47
    2-propoxyethanol 214.01
    tert-butanol 158.08
    MTBE 104.51
    2-butoxyethanol 133.99
    propionic acid 153.14
    o-xylene 33.47
    formic acid 279.74
    diethyl ether 135.77
    m-xylene 36.06
    p-xylene 22.28
    chlorobenzene 69.79
    dimethyl carbonate 97.04
    n-octane 3.6
    formamide 374.23
    cyclopentanone 256.99
    2-pentanone 144.21
    anisole 67.67
    cyclopentyl methyl ether 149.14
    gamma-butyrolactone 275.58
    1-methoxy-2-propanol 282.31
    pyridine 146.32
    3-pentanone 100.28
    furfural 251.83
    n-dodecane 3.17
    diethylene glycol 201.07
    diisopropyl ether 34.87
    tert-amyl alcohol 124.76
    acetylacetone 155.99
    n-hexadecane 3.6
    acetophenone 62.66
    methyl propionate 140.0
    isopentyl acetate 54.4
    trichloroethylene 167.01
    n-nonanol 45.04
    cyclohexanol 95.43
    benzyl alcohol 67.34
    2-ethylhexanol 44.21
    isooctanol 44.19
    dipropyl ether 49.21
    1,2-dichlorobenzene 57.55
    ethyl lactate 48.1
    propylene carbonate 133.46
    n-methylformamide 280.68
    2-pentanol 101.02
    n-pentane 9.33
    1-propoxy-2-propanol 117.9
    1-methoxy-2-propyl acetate 92.72
    2-(2-methoxypropoxy) propanol 87.09
    mesitylene 21.9
    ε-caprolactone 140.59
    p-cymene 18.04
    epichlorohydrin 248.15
    1,1,1-trichloroethane 111.55
    2-aminoethanol 202.16
    morpholine-4-carbaldehyde 265.89
    sulfolane 252.15
    2,2,4-trimethylpentane 6.21
    2-methyltetrahydrofuran 219.19
    n-hexyl acetate 70.67
    isooctane 4.53
    2-(2-butoxyethoxy)ethanol 119.11
    sec-butyl acetate 41.27
    tert-butyl acetate 88.14
    decalin 4.39
    glycerin 218.92
    diglyme 189.34
    acrylic acid 145.03
    isopropyl myristate 30.96
    n-butyric acid 174.97
    acetyl acetate 95.75
    di(2-ethylhexyl) phthalate 37.61
    ethyl propionate 58.6
    nitromethane 414.29
    1,2-diethoxyethane 78.07
    benzonitrile 70.14
    trioctyl phosphate 29.76
    1-bromopropane 58.37
    gamma-valerolactone 317.41
    n-decanol 32.98
    triethyl phosphate 32.89
    4-methyl-2-pentanol 53.66
    propionitrile 109.56
    vinylene carbonate 129.57
    1,1,2-trichlorotrifluoroethane 201.68
    DMS 61.94
    cumene 13.3
    2-octanol 40.56
    2-hexanone 70.75
    octyl acetate 43.58
    limonene 26.78
    1,2-dimethoxyethane 209.85
    ethyl orthosilicate 32.68
    tributyl phosphate 31.03
    diacetone alcohol 119.93
    N,N-dimethylaniline 44.63
    acrylonitrile 120.6
    aniline 106.47
    1,3-propanediol 235.34
    bromobenzene 55.81
    dibromomethane 94.96
    1,1,2,2-tetrachloroethane 135.94
    2-methyl-cyclohexyl acetate 45.05
    tetrabutyl urea 39.19
    diisobutyl methanol 25.73
    2-phenylethanol 71.89
    styrene 19.03
    dioctyl adipate 41.65
    dimethyl sulfate 140.89
    ethyl butyrate 48.29
    methyl lactate 106.37
    butyl lactate 52.02
    diethyl carbonate 36.44
    propanediol butyl ether 93.35
    triethyl orthoformate 41.65
    p-tert-butyltoluene 19.06
    methyl 4-tert-butylbenzoate 76.51
    morpholine 265.79
    tert-butylamine 85.39
    n-dodecanol 24.28
    dimethoxymethane 279.13
    ethylene carbonate 109.16
    cyrene 97.01
    2-ethoxyethyl acetate 91.79
    2-ethylhexyl acetate 44.52
    1,2,4-trichlorobenzene 74.97
    4-methylpyridine 148.79
    dibutyl ether 36.27
    2,6-dimethyl-4-heptanol 25.73
    DEF 136.84
    dimethyl isosorbide 130.72
    tetrachloroethylene 98.89
    eugenol 81.85
    triacetin 68.0
    span 80 78.65
    1,4-butanediol 89.67
    1,1-dichloroethane 113.19
    2-methyl-1-pentanol 72.0
    methyl formate 213.34
    2-methyl-1-butanol 107.4
    n-decane 5.29
    butyronitrile 109.54
    3,7-dimethyl-1-octanol 38.54
    1-chlorooctane 22.41
    1-chlorotetradecane 10.29
    n-nonane 4.73
    undecane 3.99
    tert-butylcyclohexane 4.89
    cyclooctane 2.79
    cyclopentanol 140.13
    tetrahydropyran 162.08
    tert-amyl methyl ether 83.82
    2,5,8-trioxanonane 135.48
    1-hexene 20.79
    2-isopropoxyethanol 119.13
    2,2,2-trifluoroethanol 175.47
    methyl butyrate 69.82

    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