Ethoxzolamide

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  • Identifiers

    CAS number
    452-35-7

    Molecular formula
    C9H10N2O3S2

    SMILES
    CCOC1=CC2=C(C=C1)N=C(S2)S(=O)(=O)N

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 59.64%
    Roasted 32.07%
    Cooked 28.51%
    Meaty 23.56%
    Savory 23.24%
    Burnt 21.18%
    Sulfurous 20.72%
    Nutty 18.72%
    Bitter 16.26%
    Fruity 16.14%

     

    Flavor
    Bitter 83.07%
    Odorless 26.01%
    Bland 20.59%
    Taco 19.82%
    Nitrile 19.62%
    Bread crust 19.44%
    Roasted peanuts 19.27%
    Cedarleaf 18.51%
    Lovage 18.43%
    Very strong 18.38%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    8.03 (weak base)

    Molecular weight
    258.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    479°C

    Melting point expt.

    • 188-190.5
    • 188-190.5 °C
    • 189 °C

    Flash point

    • 221.94 ˚C est.

    Solubility expt.

    • >38.7 [ug/mL] (The mean of the results at pH 7.4)
    • 40 mg/L
    • SLIGHTLY SOL IN ALC, ACETONE, CHLOROFORM & ETHER; PRACTICALLY INSOL IN WATER
    • Water solubility = 40 mg/l @ 25 deg
    • 6.88e-01 g/L

  • Synonyms

    • ethoxzolamide
    • 452-35-7
    • 6-Ethoxy-2-benzothiazolesulfonamide
    • Ethoxyzolamide
    • Ethoxazolamide
    • Ethamide
    • Cardrase
    • Etoxzolamide
    • 6-Ethoxy-1,3-benzothiazole-2-sulfonamide
    • Glaucotensil
    • Diuretic C
    • Mingoral
    • 2-Benzothiazolesulfonamide, 6-ethoxy-
    • 6-Ethoxyzolamide
    • 6-Ethoxybenzo[d]thiazole-2-sulfonamide
    • 6-Ethoxybenzothiazole-2-sulfonamide
    • U-4191
    • NSC 10679
    • HSDB 3268
    • EINECS 207-199-5
    • NSC-10679
    • UNII-Z52H4811WX
    • BRN 0212240
    • Ethoxzolamide [USP]
    • DTXSID1023021
    • AI3-50805
    • CHEBI:101096
    • Z52H4811WX
    • 6-Ethoxy-benzothiazole-2-sulfonic acid amide
    • CHEMBL18
    • MFCD00057089
    • Redupresin;L-643786;PNU-4191
    • MLS000028637
    • DTXCID303021
    • 4-27-00-04404 (Beilstein Handbook Reference)
    • NSC10679
    • Ethoxzolamide (USP)
    • NCGC00018249-04
    • Redupresin
    • SMR000059148
    • 6-Ethoxybenzothiazole-2-sulphonamide
    • Cardrase (TN)
    • CAS-452-35-7
    • EZL
    • Athamid
    • 3caj
    • 3dcw
    • 3mdz
    • Ethoxzolamide, EZM
    • 3dd0
    • Opera_ID_1207
    • ETHOXZOLAMIDE [MI]
    • 6-(ethyloxy)-1,3-benzothiazole-2-sulfonamide
    • ETHOXZOLAMIDE [HSDB]
    • SCHEMBL63941
    • MLS001077357
    • 6-Ethoxyzolamide;Ethoxzolamide
    • ETHOXZOLAMIDE [WHO-DD]
    • GTPL6814
    • BDBM10882
    • HMS2093J03
    • HMS2094M03
    • HMS2233N09
    • HMS3373K15
    • HMS3715F20
    • HMS3746M15
    • Pharmakon1600-01505426
    • ETHOXZOLAMIDE [ORANGE BOOK]
    • BCP24088
    • HY-B1480
    • Tox21_110848
    • 6-ethoxy-2-benzothiazole sulfonamide
    • NSC759129
    • WLN: T56 BN DSJ CSZW GO2
    • AKOS015915628
    • Tox21_110848_1
    • CCG-213432
    • CS-7836
    • DB00311
    • FE61560
    • NSC-759129
    • VS-0126
    • Benzothiazole, 6-ethoxy-2-sulfonamide-
    • NCGC00018249-01
    • NCGC00018249-02
    • NCGC00018249-03
    • NCGC00018249-05
    • NCGC00022533-04
    • NCGC00186657-01
    • 6-Ethoxy-2-benzothiazolesulfonamide, 97%
    • SBI-0206851.P001
    • DB-369276
    • 6-Ethoxy-1,3-benzothiazole-2-sulfonamide #
    • NS00031505
    • SW220095-1
    • D02441
    • G12146
    • AB00383049_12
    • AB00383049_13
    • Q265352
    • SR-01000000236
    • SR-01000000236-2
    • BRD-K18131774-001-10-1
    • BRD-K18131774-001-17-6
    • BRD-K18131774-001-18-4
    • Z995241886
    • Ethoxzolamide, United States Pharmacopeia (USP) Reference Standard
    • 207-199-5
    • InChI=1/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13

  • Applications

    Ethoxzolamide is a sulfonamide carbonic anhydrase inhibitor used primarily in pharmaceutical research and biochemical studies as a tool to probe carbonic anhydrase activity and inhibition. In industry, it is commonly employed as an intermediate and reference in the synthesis of sulfonamide derivatives, supporting medicinal chemistry programs. In laboratory settings, it functions as an assay reagent and probe for enzymology and structure-activity relationship (SAR) exploration of CA inhibitors. These applications are typically pursued in academic and industrial research on CA-related compounds, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.91
    methanol 8.93
    isopropanol 2.58
    water 0.15
    ethyl acetate 11.6
    n-propanol 2.83
    acetone 39.26
    n-butanol 2.43
    acetonitrile 17.41
    DMF 204.6
    toluene 0.23
    isobutanol 1.9
    1,4-dioxane 17.9
    methyl acetate 20.73
    THF 44.25
    2-butanone 27.56
    n-pentanol 2.12
    sec-butanol 2.83
    n-hexane 0.03
    ethylene glycol 6.29
    NMP 114.56
    cyclohexane 0.08
    DMSO 158.19
    n-butyl acetate 12.97
    n-octanol 2.36
    chloroform 3.9
    n-propyl acetate 11.89
    acetic acid 14.06
    dichloromethane 5.58
    cyclohexanone 27.12
    propylene glycol 3.98
    isopropyl acetate 7.02
    DMAc 174.08
    2-ethoxyethanol 22.78
    isopentanol 2.67
    n-heptane 0.06
    ethyl formate 14.62
    1,2-dichloroethane 4.97
    n-hexanol 2.92
    2-methoxyethanol 48.72
    isobutyl acetate 5.39
    tetrachloromethane 0.32
    n-pentyl acetate 7.71
    transcutol 31.66
    n-heptanol 2.36
    ethylbenzene 0.35
    MIBK 6.54
    2-propoxyethanol 26.43
    tert-butanol 3.36
    MTBE 2.6
    2-butoxyethanol 13.19
    propionic acid 7.34
    o-xylene 0.37
    formic acid 15.71
    diethyl ether 2.41
    m-xylene 0.23
    p-xylene 0.77
    chlorobenzene 1.41
    dimethyl carbonate 13.78
    n-octane 0.05
    formamide 42.24
    cyclopentanone 52.45
    2-pentanone 13.04
    anisole 6.28
    cyclopentyl methyl ether 4.68
    gamma-butyrolactone 53.3
    1-methoxy-2-propanol 25.94
    pyridine 12.95
    3-pentanone 10.24
    furfural 55.76
    n-dodecane 0.09
    diethylene glycol 32.37
    diisopropyl ether 0.56
    tert-amyl alcohol 3.8
    acetylacetone 31.77
    n-hexadecane 0.1
    acetophenone 12.6
    methyl propionate 14.8
    isopentyl acetate 10.92
    trichloroethylene 9.92
    n-nonanol 2.72
    cyclohexanol 2.45
    benzyl alcohol 6.16
    2-ethylhexanol 2.55
    isooctanol 2.12
    dipropyl ether 2.6
    1,2-dichlorobenzene 2.32
    ethyl lactate 12.42
    propylene carbonate 23.64
    n-methylformamide 47.38
    2-pentanol 1.38
    n-pentane 0.02
    1-propoxy-2-propanol 16.48
    1-methoxy-2-propyl acetate 19.69
    2-(2-methoxypropoxy) propanol 20.88
    mesitylene 0.21
    ε-caprolactone 25.37
    p-cymene 0.88
    epichlorohydrin 39.56
    1,1,1-trichloroethane 1.96
    2-aminoethanol 6.94
    morpholine-4-carbaldehyde 95.46
    sulfolane 75.33
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 13.53
    n-hexyl acetate 8.21
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 19.32
    sec-butyl acetate 6.16
    tert-butyl acetate 7.33
    decalin 0.07
    glycerin 16.49
    diglyme 39.17
    acrylic acid 10.03
    isopropyl myristate 4.23
    n-butyric acid 8.93
    acetyl acetate 8.73
    di(2-ethylhexyl) phthalate 6.92
    ethyl propionate 10.75
    nitromethane 71.29
    1,2-diethoxyethane 10.65
    benzonitrile 9.5
    trioctyl phosphate 4.91
    1-bromopropane 1.18
    gamma-valerolactone 88.97
    n-decanol 2.22
    triethyl phosphate 8.0
    4-methyl-2-pentanol 1.16
    propionitrile 8.48
    vinylene carbonate 20.32
    1,1,2-trichlorotrifluoroethane 36.0
    DMS 13.51
    cumene 0.4
    2-octanol 1.71
    2-hexanone 12.02
    octyl acetate 6.22
    limonene 1.21
    1,2-dimethoxyethane 55.05
    ethyl orthosilicate 6.17
    tributyl phosphate 6.3
    diacetone alcohol 16.31
    N,N-dimethylaniline 4.62
    acrylonitrile 17.39
    aniline 2.31
    1,3-propanediol 10.57
    bromobenzene 0.86
    dibromomethane 2.35
    1,1,2,2-tetrachloroethane 7.9
    2-methyl-cyclohexyl acetate 10.1
    tetrabutyl urea 11.18
    diisobutyl methanol 1.54
    2-phenylethanol 8.17
    styrene 0.53
    dioctyl adipate 8.36
    dimethyl sulfate 37.75
    ethyl butyrate 10.71
    methyl lactate 20.16
    butyl lactate 10.63
    diethyl carbonate 9.61
    propanediol butyl ether 11.1
    triethyl orthoformate 8.63
    p-tert-butyltoluene 0.7
    methyl 4-tert-butylbenzoate 12.23
    morpholine 26.61
    tert-butylamine 1.04
    n-dodecanol 1.72
    dimethoxymethane 41.62
    ethylene carbonate 15.95
    cyrene 27.79
    2-ethoxyethyl acetate 14.91
    2-ethylhexyl acetate 8.2
    1,2,4-trichlorobenzene 3.87
    4-methylpyridine 9.75
    dibutyl ether 2.75
    2,6-dimethyl-4-heptanol 1.54
    DEF 28.59
    dimethyl isosorbide 38.03
    tetrachloroethylene 3.88
    eugenol 17.42
    triacetin 14.29
    span 80 11.19
    1,4-butanediol 4.27
    1,1-dichloroethane 2.14
    2-methyl-1-pentanol 2.49
    methyl formate 39.12
    2-methyl-1-butanol 2.5
    n-decane 0.12
    butyronitrile 7.17
    3,7-dimethyl-1-octanol 2.54
    1-chlorooctane 0.84
    1-chlorotetradecane 0.49
    n-nonane 0.09
    undecane 0.1
    tert-butylcyclohexane 0.05
    cyclooctane 0.02
    cyclopentanol 4.37
    tetrahydropyran 6.5
    tert-amyl methyl ether 2.71
    2,5,8-trioxanonane 33.07
    1-hexene 0.22
    2-isopropoxyethanol 12.14
    2,2,2-trifluoroethanol 10.4
    methyl butyrate 17.55

    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