2-Aminobenzothiazole

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  • Identifiers

    CAS number
    136-95-8

    Molecular formula
    C7H6N2S

    SMILES
    C1=CC=C2C(=C1)N=C(S2)N

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Sulfurous 71.91%
    Meaty 71.08%
    Roasted 57.43%
    Burnt 55.29%
    Coffee 42.16%
    Nutty 40.82%
    Cooked 37.93%
    Savory 37.27%
    Beefy 37.25%
    Fatty 31.11%

     

    Flavor
    Nutty 50.91%
    Roasted 48.82%
    Coffee 47.2%
    Bitter 44.32%
    Cocoa 34.04%
    Chocolate 33.53%
    Roast 32.07%
    Meaty 31.15%
    Vegetable 30.4%
    Sulfury 30.08%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    4.91 (weak acid)

    Molecular weight
    150.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 270 °F (NTP, 1992)
    • 132 °C

    Boiling point

    • Decomposes (NTP, 1992)

    Flash point

    • 143.61 ˚C est.

    Solubility expt.

    • less than 1 mg/mL at 66 °F (NTP, 1992)
    • SLIGHTLY SOL IN WATER
    • SOL IN ALCOHOL, ETHER, CHLOROFORM

  • Synonyms

    • 2-AMINOBENZOTHIAZOLE
    • 136-95-8
    • benzo[d]thiazol-2-amine
    • 2-Benzothiazolamine
    • 1,3-Benzothiazol-2-amine
    • Benzothiazol-2-ylamine
    • 2-Aminobenzthiazole
    • Benzothiazole, 2-amino-
    • 2-Iminobenzothiazoline
    • o-Aminobenzothiazole
    • 2-Benzothiazolylamine
    • 102337-98-4
    • 2(3H)-Benzothiazolimine
    • 2-Amino-benzothiazole
    • USAF XR-27
    • NSC 4670
    • USAF EK-3941
    • 2-amino-1,3-benzothiazol
    • 2-Amino-1,3-benzothiazole
    • HSDB 2741
    • EINECS 205-268-4
    • 08K5TLY3EQ
    • DTXSID1024467
    • AI3-52249
    • NSC-4670
    • Benzothiazole-2-ylamine
    • AMINOBENZOTHIAZOLE, 2-
    • CHEMBL329785
    • DTXCID804467
    • 2-Benzothiazolamine, homopolymer
    • 2-AMINOBENZOTHIAZOLE [MI]
    • 2-AMINOBENZOTHIAZOLE [HSDB]
    • MFCD00005785
    • 2-aminobenzothiazol
    • UNII-08K5TLY3EQ
    • aminobenzothiazole
    • ABTS impurity
    • 2aminobenzthiazole
    • 2Benzothiazolamine
    • 3mhw
    • oAminobenzothiazole
    • iminobenzothiazoline
    • benzothiazolyl-amine
    • 2Benzothiazolylamine
    • ABV
    • 2Iminobenzothiazoline
    • 2-amino benzthiazole
    • Benzothiazole, 2amino
    • 2(3H)Benzothiazolimine
    • 2-Aminobenzothiazole, 6
    • MU-AMINOBENZTHIAZOLE
    • 2-amino-1,3-benzthiazole
    • 2NH2-BTH
    • Cambridge id 5108799
    • 2-Aminobenzothiazole, 97%
    • 1,3-benzothiazol-2-ylamine
    • SCHEMBL75245
    • 84293-42-5
    • MLS002415693
    • BIDD:GT0339
    • 1,3-Benzothiazol-2-amine #
    • SCHEMBL4511001
    • WLN: T56 BN DSJ CZ
    • 1,3-benzothiazol-2(3H)-imine
    • NSC4670
    • 4b34
    • CHEBI:167751
    • HMS1577K04
    • HMS3039J05
    • BCP26554
    • STR00404
    • Tox21_200818
    • BDBM50335100
    • CL4537
    • STL139201
    • STL186134
    • AKOS000119893
    • AKOS016368231
    • CS-W018140
    • FA10791
    • FS-3142
    • HY-W017424
    • SB18592
    • NCGC00091895-01
    • NCGC00091895-02
    • NCGC00258372-01
    • BP-21206
    • CAS-136-95-8
    • SMR001370883
    • DB-027802
    • A0277
    • NS00010260
    • EN300-17296
    • 2-Benzothiazolamine,labeled with deuterium(9ci)
    • A15214
    • AE-848/01007013
    • Q27236407
    • Z56912586
    • F1386-0409
    • Cerium(III) Ionophore, Selectophore(TM), function tested
    • 205-268-4

  • Applications

    2-Aminobenzothiazole (CAS 136-95-8) is primarily used as a building block for benzothiazole-based compounds with practical applications across several industries, including dyes and pigments for coatings and inks, pharmaceutical synthesis and medicinal chemistry, agrochemical intermediates, organic electronics/optoelectronic materials, and specialty polymers and coatings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 31.67
    methanol 39.12
    isopropanol 23.78
    water 1.28
    ethyl acetate 30.81
    n-propanol 26.87
    acetone 83.08
    n-butanol 23.7
    acetonitrile 19.56
    DMF 221.54
    toluene 5.3
    isobutanol 18.14
    1,4-dioxane 92.39
    methyl acetate 32.91
    THF 220.43
    2-butanone 49.29
    n-pentanol 23.56
    sec-butanol 20.1
    n-hexane 0.77
    ethylene glycol 24.32
    NMP 121.88
    cyclohexane 0.3
    DMSO 247.13
    n-butyl acetate 26.34
    n-octanol 21.76
    chloroform 25.8
    n-propyl acetate 26.68
    acetic acid 32.57
    dichloromethane 21.56
    cyclohexanone 56.38
    propylene glycol 22.45
    isopropyl acetate 20.73
    DMAc 110.75
    2-ethoxyethanol 69.34
    isopentanol 19.88
    n-heptane 1.8
    ethyl formate 25.42
    1,2-dichloroethane 18.23
    n-hexanol 30.65
    2-methoxyethanol 120.56
    isobutyl acetate 20.87
    tetrachloromethane 5.01
    n-pentyl acetate 28.49
    transcutol 74.42
    n-heptanol 24.82
    ethylbenzene 4.74
    MIBK 29.01
    2-propoxyethanol 91.77
    tert-butanol 25.82
    MTBE 18.39
    2-butoxyethanol 57.57
    propionic acid 24.37
    o-xylene 4.99
    formic acid 23.17
    diethyl ether 20.56
    m-xylene 6.24
    p-xylene 7.07
    chlorobenzene 13.5
    dimethyl carbonate 41.33
    n-octane 1.23
    formamide 36.82
    cyclopentanone 131.1
    2-pentanone 43.9
    anisole 27.25
    cyclopentyl methyl ether 44.79
    gamma-butyrolactone 125.89
    1-methoxy-2-propanol 87.34
    pyridine 39.83
    3-pentanone 29.39
    furfural 96.89
    n-dodecane 1.55
    diethylene glycol 96.99
    diisopropyl ether 7.21
    tert-amyl alcohol 20.76
    acetylacetone 67.82
    n-hexadecane 1.79
    acetophenone 29.41
    methyl propionate 38.32
    isopentyl acetate 25.1
    trichloroethylene 37.41
    n-nonanol 20.83
    cyclohexanol 15.22
    benzyl alcohol 24.75
    2-ethylhexanol 18.9
    isooctanol 20.08
    dipropyl ether 21.24
    1,2-dichlorobenzene 15.5
    ethyl lactate 27.75
    propylene carbonate 49.13
    n-methylformamide 66.18
    2-pentanol 16.23
    n-pentane 0.55
    1-propoxy-2-propanol 56.78
    1-methoxy-2-propyl acetate 43.17
    2-(2-methoxypropoxy) propanol 45.77
    mesitylene 4.73
    ε-caprolactone 45.48
    p-cymene 7.72
    epichlorohydrin 109.29
    1,1,1-trichloroethane 15.41
    2-aminoethanol 33.71
    morpholine-4-carbaldehyde 128.23
    sulfolane 164.87
    2,2,4-trimethylpentane 0.86
    2-methyltetrahydrofuran 66.55
    n-hexyl acetate 33.92
    isooctane 0.87
    2-(2-butoxyethoxy)ethanol 59.13
    sec-butyl acetate 17.72
    tert-butyl acetate 25.35
    decalin 1.01
    glycerin 53.59
    diglyme 93.17
    acrylic acid 26.91
    isopropyl myristate 17.8
    n-butyric acid 31.97
    acetyl acetate 20.98
    di(2-ethylhexyl) phthalate 20.7
    ethyl propionate 25.42
    nitromethane 83.37
    1,2-diethoxyethane 33.78
    benzonitrile 23.85
    trioctyl phosphate 18.08
    1-bromopropane 9.33
    gamma-valerolactone 143.08
    n-decanol 16.41
    triethyl phosphate 17.04
    4-methyl-2-pentanol 12.39
    propionitrile 19.75
    vinylene carbonate 43.05
    1,1,2-trichlorotrifluoroethane 65.51
    DMS 28.34
    cumene 5.53
    2-octanol 19.1
    2-hexanone 35.03
    octyl acetate 23.53
    limonene 9.79
    1,2-dimethoxyethane 100.36
    ethyl orthosilicate 15.62
    tributyl phosphate 17.27
    diacetone alcohol 43.91
    N,N-dimethylaniline 21.51
    acrylonitrile 28.28
    aniline 15.92
    1,3-propanediol 48.01
    bromobenzene 10.63
    dibromomethane 12.58
    1,1,2,2-tetrachloroethane 30.62
    2-methyl-cyclohexyl acetate 23.19
    tetrabutyl urea 25.53
    diisobutyl methanol 11.91
    2-phenylethanol 32.13
    styrene 5.55
    dioctyl adipate 22.94
    dimethyl sulfate 77.25
    ethyl butyrate 22.54
    methyl lactate 42.62
    butyl lactate 29.5
    diethyl carbonate 16.6
    propanediol butyl ether 45.98
    triethyl orthoformate 19.49
    p-tert-butyltoluene 7.97
    methyl 4-tert-butylbenzoate 38.02
    morpholine 81.48
    tert-butylamine 11.4
    n-dodecanol 13.06
    dimethoxymethane 133.46
    ethylene carbonate 33.79
    cyrene 51.97
    2-ethoxyethyl acetate 37.63
    2-ethylhexyl acetate 20.44
    1,2,4-trichlorobenzene 20.31
    4-methylpyridine 31.55
    dibutyl ether 17.22
    2,6-dimethyl-4-heptanol 11.91
    DEF 47.2
    dimethyl isosorbide 76.63
    tetrachloroethylene 19.45
    eugenol 49.03
    triacetin 31.87
    span 80 38.99
    1,4-butanediol 25.69
    1,1-dichloroethane 14.75
    2-methyl-1-pentanol 19.0
    methyl formate 58.86
    2-methyl-1-butanol 18.49
    n-decane 2.14
    butyronitrile 20.89
    3,7-dimethyl-1-octanol 17.2
    1-chlorooctane 10.49
    1-chlorotetradecane 5.39
    n-nonane 1.77
    undecane 1.79
    tert-butylcyclohexane 1.38
    cyclooctane 0.28
    cyclopentanol 30.43
    tetrahydropyran 41.21
    tert-amyl methyl ether 17.34
    2,5,8-trioxanonane 70.48
    1-hexene 4.66
    2-isopropoxyethanol 44.44
    2,2,2-trifluoroethanol 21.67
    methyl butyrate 32.28

    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