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
    Meaty 49.41%
    Roasted 49.02%
    Nutty 41.07%
    Sulfurous 40.7%
    Odorless 37.37%
    Cocoa 33.7%
    Burnt 32.74%
    Coffee 31.7%
    Beefy 30.86%
    Musty 30.5%

     

    Flavor
    Nutty 48.14%
    Roasted 44.93%
    Cocoa 38.88%
    Coffee 38.28%
    Meaty 32.99%
    Musty 32.81%
    Sulfur 31.48%
    Vegetable 30.86%
    Roast 30.83%
    Burnt 29.76%

     

    Odor impact est.
    Medium

  • Properties

    pKa est.
    -215250.69 (strong acid)

    Molecular weight
    209.11 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    276°C

    Flash point

    • 96.48 ˚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 221.89
    methanol 528.78
    isopropanol 122.19
    water 370.32
    ethyl acetate 22.42
    n-propanol 142.49
    acetone 71.39
    n-butanol 104.65
    acetonitrile 24.5
    DMF 427.35
    toluene 2.62
    isobutanol 79.06
    1,4-dioxane 87.44
    methyl acetate 32.96
    THF 187.58
    2-butanone 42.99
    n-pentanol 70.13
    sec-butanol 74.97
    n-hexane 1.17
    ethylene glycol 289.22
    NMP 191.53
    cyclohexane 0.68
    DMSO 272.27
    n-butyl acetate 14.74
    n-octanol 24.22
    chloroform 38.19
    n-propyl acetate 17.9
    acetic acid 126.29
    dichloromethane 39.41
    cyclohexanone 38.27
    propylene glycol 160.19
    isopropyl acetate 12.76
    DMAc 221.66
    2-ethoxyethanol 230.94
    isopentanol 57.24
    n-heptane 1.29
    ethyl formate 51.36
    1,2-dichloroethane 23.0
    n-hexanol 40.12
    2-methoxyethanol 528.11
    isobutyl acetate 10.3
    tetrachloromethane 10.37
    n-pentyl acetate 21.52
    transcutol 138.69
    n-heptanol 33.97
    ethylbenzene 1.69
    MIBK 17.58
    2-propoxyethanol 153.24
    tert-butanol 95.06
    MTBE 21.7
    2-butoxyethanol 101.38
    propionic acid 68.42
    o-xylene 3.2
    formic acid 424.33
    diethyl ether 31.32
    m-xylene 3.18
    p-xylene 2.65
    chlorobenzene 5.15
    dimethyl carbonate 27.6
    n-octane 0.79
    formamide 478.22
    cyclopentanone 78.61
    2-pentanone 34.37
    anisole 13.16
    cyclopentyl methyl ether 37.8
    gamma-butyrolactone 102.66
    1-methoxy-2-propanol 247.39
    pyridine 28.18
    3-pentanone 20.72
    furfural 106.79
    n-dodecane 0.68
    diethylene glycol 230.44
    diisopropyl ether 4.68
    tert-amyl alcohol 58.25
    acetylacetone 27.5
    n-hexadecane 0.74
    acetophenone 17.04
    methyl propionate 33.57
    isopentyl acetate 13.4
    trichloroethylene 33.73
    n-nonanol 22.99
    cyclohexanol 35.63
    benzyl alcohol 31.57
    2-ethylhexanol 15.58
    isooctanol 23.64
    dipropyl ether 14.79
    1,2-dichlorobenzene 6.63
    ethyl lactate 28.61
    propylene carbonate 40.42
    n-methylformamide 242.83
    2-pentanol 43.48
    n-pentane 1.6
    1-propoxy-2-propanol 69.51
    1-methoxy-2-propyl acetate 29.62
    2-(2-methoxypropoxy) propanol 51.84
    mesitylene 2.11
    ε-caprolactone 42.95
    p-cymene 3.11
    epichlorohydrin 111.15
    1,1,1-trichloroethane 12.56
    2-aminoethanol 322.07
    morpholine-4-carbaldehyde 189.2
    sulfolane 125.04
    2,2,4-trimethylpentane 0.8
    2-methyltetrahydrofuran 63.14
    n-hexyl acetate 23.42
    isooctane 0.5
    2-(2-butoxyethoxy)ethanol 82.61
    sec-butyl acetate 9.29
    tert-butyl acetate 15.73
    decalin 0.54
    glycerin 332.41
    diglyme 129.24
    acrylic acid 72.64
    isopropyl myristate 8.92
    n-butyric acid 71.71
    acetyl acetate 10.0
    di(2-ethylhexyl) phthalate 16.91
    ethyl propionate 15.85
    nitromethane 142.3
    1,2-diethoxyethane 28.64
    benzonitrile 12.55
    trioctyl phosphate 13.91
    1-bromopropane 11.54
    gamma-valerolactone 136.15
    n-decanol 16.0
    triethyl phosphate 10.76
    4-methyl-2-pentanol 19.93
    propionitrile 23.33
    vinylene carbonate 36.54
    1,1,2-trichlorotrifluoroethane 136.05
    DMS 17.91
    cumene 2.15
    2-octanol 20.51
    2-hexanone 22.87
    octyl acetate 14.78
    limonene 4.39
    1,2-dimethoxyethane 184.44
    ethyl orthosilicate 10.99
    tributyl phosphate 13.17
    diacetone alcohol 48.74
    N,N-dimethylaniline 13.55
    acrylonitrile 32.13
    aniline 20.86
    1,3-propanediol 296.03
    bromobenzene 2.78
    dibromomethane 19.14
    1,1,2,2-tetrachloroethane 34.11
    2-methyl-cyclohexyl acetate 13.97
    tetrabutyl urea 19.09
    diisobutyl methanol 7.82
    2-phenylethanol 26.46
    styrene 1.87
    dioctyl adipate 15.85
    dimethyl sulfate 57.54
    ethyl butyrate 12.65
    methyl lactate 61.0
    butyl lactate 30.24
    diethyl carbonate 9.35
    propanediol butyl ether 80.93
    triethyl orthoformate 13.12
    p-tert-butyltoluene 3.25
    methyl 4-tert-butylbenzoate 30.06
    morpholine 139.91
    tert-butylamine 37.58
    n-dodecanol 10.94
    dimethoxymethane 195.35
    ethylene carbonate 30.56
    cyrene 62.25
    2-ethoxyethyl acetate 33.83
    2-ethylhexyl acetate 10.29
    1,2,4-trichlorobenzene 10.54
    4-methylpyridine 25.28
    dibutyl ether 10.03
    2,6-dimethyl-4-heptanol 7.82
    DEF 55.28
    dimethyl isosorbide 63.45
    tetrachloroethylene 28.26
    eugenol 46.92
    triacetin 24.84
    span 80 45.45
    1,4-butanediol 126.86
    1,1-dichloroethane 15.06
    2-methyl-1-pentanol 40.5
    methyl formate 153.2
    2-methyl-1-butanol 57.92
    n-decane 1.18
    butyronitrile 24.93
    3,7-dimethyl-1-octanol 15.38
    1-chlorooctane 5.32
    1-chlorotetradecane 2.23
    n-nonane 0.98
    undecane 0.87
    tert-butylcyclohexane 0.67
    cyclooctane 0.36
    cyclopentanol 72.25
    tetrahydropyran 36.62
    tert-amyl methyl ether 20.37
    2,5,8-trioxanonane 87.62
    1-hexene 4.17
    2-isopropoxyethanol 100.26
    2,2,2-trifluoroethanol 113.25
    methyl butyrate 23.06

    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