2-(Tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one

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  • Identifiers

    CAS number
    69327-76-0

    Molecular formula
    C16H23N3OS

    SMILES
    CC(C)N1C(=NC(C)(C)C)SCN(C1=O)C2=CC=CC=C2

    Safety labels

  • Odor profile

    Fragrance
    Herbal 34.92%
    Mint 32.64%
    Roasted 27.28%
    Citrus 27.13%
    Grapefruit 26.92%
    Woody 25.99%
    Cooling 25.83%
    Fresh 24.33%
    Green 23.15%
    Animal 23.02%

     

    Flavor
    Bitter 57.79%
    Green pepper 20.98%
    Cedarleaf 20.73%
    Carrot 20.04%
    Tomato leaf 19.97%
    Syrup 19.93%
    Broom 19.07%
    Heather 19.04%
    Nitrile 18.66%
    Pepper 18.56%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    7.6 (neutral)

    Molecular weight
    305.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    449°C

    Flash point

    • 159.15 ˚C est.

  • Synonyms

    • 2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one
    • CHEBI:3218
    • RefChem:1062068
    • BUPROFEZIN
    • 69327-76-0
    • Applaud
    • Buprofezine
    • NNI 750
    • PP618
    • (E)-buprofezin
    • 2-((1,1-Dimethylethyl)imino)tetrahydro-3-(1-methylethyl)-5-phenyl-4H-1,3,5-thiadiazin-4-one
    • 953030-84-7
    • 2-tert-Butylimino-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one
    • 2-tert-butylimino-5-phenyl-3-propan-2-yl-1,3,5-thiadiazinan-4-one
    • 3B8KGI239I
    • Buprofenzin
    • DTXSID8034401
    • 2-tert-Butylimino-3-isopropyl-5-phenylperhydro-1,3,5-thiadiazinan-4-one
    • MFCD01681899
    • 2-tert-Butylimino-3-isopropyl-5-phenyl-3,4,5,6-tetrahydro-2H-1,3,5-thiadiazin-4-one
    • 4H-1,3,5-Thiadiazin-4-one, 2-((1,1-dimethylethyl)imino)tetrahydro-3-(1-methylethyl)-5-phenyl-
    • Buprofezin 10 microg/mL in Cyclohexane
    • Buprofezin 100 microg/mL in Cyclohexane
    • 2-(tert-butylimino)-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one
    • Courier; NNI 750; Stater; Talus;Applaud; Applaud 40SC
    • (Z)-2-tert-butylimino-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one
    • (2Z)-2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one
    • Buprofezin [BSI]
    • Buprofezin [ISO]
    • Buprofezine [ISO-French]
    • BRN 1010518
    • UNII-3B8KGI239I
    • AI3-29749
    • HSDB 7610
    • (Z)-buprofezin
    • 2-([1,1-Dimethylethyl]imino)-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one #
    • NNI-750
    • (EZ)-Buprofezin
    • Buprofezin solution
    • (Z)-2-((1,1-dimethylethyl)imino)tetrahydro-3-(1-methylethyl)-5-phenyl-4H-1,3,5-thiadiazin-4-one
    • (Z)-2-[(1,1-dimethylethyl)imino]tetrahydro-3-(1-methylethyl)-5-phenyl-4H-1,3,5-thiadiazin-4-one
    • Applaud (fungicide)
    • Buprofezin (Standard)
    • starbld0017019
    • BUPROFEZIN [MI]
    • BUPROFEZIN [HSDB]
    • SCHEMBL26901
    • SCHEMBL26902
    • orb1304146
    • orb3025828
    • CHEMBL1891512
    • CHEMBL3186631
    • DTXCID6014401
    • SCHEMBL11019557
    • CHEBI:39380
    • CHEBI:39381
    • HY-B0831R
    • NNK-758
    • DTXSID401009368
    • HMS6018J20
    • HY-B0831
    • MSK20398
    • Tox21_301088
    • PP-618
    • 2-tert-butylimino-3-isopropyl-5-phenylperhydro-1,3,5-thiadiazin-4-one
    • AKOS015917449
    • AKOS025310870
    • Buprofezin 1000 microg/mL in Acetone
    • KS-5376
    • NCGC00163828-01
    • NCGC00163828-02
    • NCGC00163828-03
    • NCGC00163828-04
    • NCGC00254988-01
    • AC-12694
    • NN-29285
    • CAS-69327-76-0
    • DB-009128
    • CS-0012845
    • NS00000100
    • NS00114384
    • Buprofezin, PESTANAL(R), analytical standard
    • G13018
    • 327B760
    • Q2912604
    • Q27119841
    • 2-t-butylimino-5-phenyl-3-propan-2-yl-1,3,5-thiadiazinan-4-one
    • (2E)-2-(tert-butylimino)-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one
    • (2Z)-2-(tert-butylimino)-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one
    • (E)-2-(tert-Butylimino)-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one
    • 2-t-butylimino-3-isopropyl-5-phenyl-tetrahydro-1,3,5-thiadiazin-4-one
    • (2E)-2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one
    • (2Z)-2-[(1,1-Dimethylethyl)imino]tetrahydro-3-(1-methylethyl)-5-phenyl-4H-1,3,5-thiadiazin-4-one
    • 4H-1,3,5-thiadiazin-4-one, 2-((1,1-dimethylethyl)imino)tetrahydro-3-(1-methylethyl)-5-phenyl-, (2Z)-
    • 953030-84-7

  • Applications

    2-(Tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one (CAS 69327-76-0) is mainly used as an organic synthesis intermediate, particularly for the preparation of heterocyclic compounds in medicinal and agrochemical research. It is commonly evaluated as a building block in R&D for the development of novel derivatives and functional materials. In industry, it may serve as a precursor to specialty coatings and adhesives, and as a component in polymer and plastic formulation chemistries where its heterocyclic core enables targeted reactivity and property tuning. Depending on regulatory constraints and formulation limits, this compound can be leveraged as a versatile intermediate in complex synthetic routes.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 101.66
    methanol 86.99
    isopropanol 89.59
    water 1.43
    ethyl acetate 352.97
    n-propanol 106.81
    acetone 349.46
    n-butanol 96.94
    acetonitrile 140.39
    DMF 475.74
    toluene 346.2
    isobutanol 96.82
    1,4-dioxane 330.12
    methyl acetate 275.19
    THF 731.25
    2-butanone 327.11
    n-pentanol 90.85
    sec-butanol 101.45
    n-hexane 8.62
    ethylene glycol 45.84
    NMP 969.7
    cyclohexane 29.32
    DMSO 421.91
    n-butyl acetate 186.88
    n-octanol 66.72
    chloroform 1467.02
    n-propyl acetate 171.07
    acetic acid 286.67
    dichloromethane 1254.18
    cyclohexanone 666.24
    propylene glycol 92.96
    isopropyl acetate 188.62
    DMAc 550.53
    2-ethoxyethanol 113.68
    isopentanol 90.58
    n-heptane 7.64
    ethyl formate 239.47
    1,2-dichloroethane 604.52
    n-hexanol 112.53
    2-methoxyethanol 183.44
    isobutyl acetate 117.04
    tetrachloromethane 93.56
    n-pentyl acetate 155.51
    transcutol 184.86
    n-heptanol 70.62
    ethylbenzene 109.92
    MIBK 148.91
    2-propoxyethanol 192.33
    tert-butanol 90.0
    MTBE 75.39
    2-butoxyethanol 123.97
    propionic acid 240.63
    o-xylene 149.86
    formic acid 89.89
    diethyl ether 98.6
    m-xylene 163.15
    p-xylene 149.4
    chlorobenzene 515.19
    dimethyl carbonate 187.85
    n-octane 4.78
    formamide 109.0
    cyclopentanone 889.87
    2-pentanone 269.42
    anisole 179.69
    cyclopentyl methyl ether 302.7
    gamma-butyrolactone 1041.51
    1-methoxy-2-propanol 174.62
    pyridine 630.69
    3-pentanone 239.98
    furfural 844.15
    n-dodecane 5.4
    diethylene glycol 139.57
    diisopropyl ether 32.44
    tert-amyl alcohol 96.06
    acetylacetone 399.6
    n-hexadecane 6.57
    acetophenone 255.06
    methyl propionate 315.02
    isopentyl acetate 162.23
    trichloroethylene 1471.8
    n-nonanol 60.59
    cyclohexanol 200.32
    benzyl alcohol 214.15
    2-ethylhexanol 79.27
    isooctanol 58.3
    dipropyl ether 67.92
    1,2-dichlorobenzene 405.47
    ethyl lactate 116.84
    propylene carbonate 694.98
    n-methylformamide 216.75
    2-pentanol 74.54
    n-pentane 9.64
    1-propoxy-2-propanol 138.57
    1-methoxy-2-propyl acetate 207.5
    2-(2-methoxypropoxy) propanol 131.46
    mesitylene 70.78
    ε-caprolactone 571.67
    p-cymene 62.2
    epichlorohydrin 825.76
    1,1,1-trichloroethane 472.16
    2-aminoethanol 79.53
    morpholine-4-carbaldehyde 552.45
    sulfolane 1142.6
    2,2,4-trimethylpentane 7.37
    2-methyltetrahydrofuran 443.03
    n-hexyl acetate 183.61
    isooctane 4.37
    2-(2-butoxyethoxy)ethanol 138.98
    sec-butyl acetate 114.11
    tert-butyl acetate 149.16
    decalin 15.38
    glycerin 126.99
    diglyme 216.83
    acrylic acid 268.53
    isopropyl myristate 68.86
    n-butyric acid 288.03
    acetyl acetate 294.01
    di(2-ethylhexyl) phthalate 116.1
    ethyl propionate 169.34
    nitromethane 446.28
    1,2-diethoxyethane 97.97
    benzonitrile 320.84
    trioctyl phosphate 79.74
    1-bromopropane 254.28
    gamma-valerolactone 928.9
    n-decanol 46.74
    triethyl phosphate 90.62
    4-methyl-2-pentanol 49.55
    propionitrile 145.95
    vinylene carbonate 630.17
    1,1,2-trichlorotrifluoroethane 565.5
    DMS 225.01
    cumene 63.73
    2-octanol 53.0
    2-hexanone 163.82
    octyl acetate 104.61
    limonene 82.6
    1,2-dimethoxyethane 171.59
    ethyl orthosilicate 74.74
    tributyl phosphate 90.06
    diacetone alcohol 180.52
    N,N-dimethylaniline 117.15
    acrylonitrile 219.43
    aniline 301.34
    1,3-propanediol 101.55
    bromobenzene 572.9
    dibromomethane 750.74
    1,1,2,2-tetrachloroethane 999.85
    2-methyl-cyclohexyl acetate 153.68
    tetrabutyl urea 117.26
    diisobutyl methanol 39.82
    2-phenylethanol 215.55
    styrene 147.37
    dioctyl adipate 131.28
    dimethyl sulfate 318.61
    ethyl butyrate 149.85
    methyl lactate 189.62
    butyl lactate 140.39
    diethyl carbonate 120.35
    propanediol butyl ether 132.12
    triethyl orthoformate 95.52
    p-tert-butyltoluene 54.72
    methyl 4-tert-butylbenzoate 185.67
    morpholine 361.14
    tert-butylamine 46.35
    n-dodecanol 37.36
    dimethoxymethane 249.49
    ethylene carbonate 473.45
    cyrene 244.54
    2-ethoxyethyl acetate 196.14
    2-ethylhexyl acetate 139.42
    1,2,4-trichlorobenzene 526.44
    4-methylpyridine 569.95
    dibutyl ether 59.2
    2,6-dimethyl-4-heptanol 39.82
    DEF 286.22
    dimethyl isosorbide 273.52
    tetrachloroethylene 559.46
    eugenol 190.75
    triacetin 206.88
    span 80 163.45
    1,4-butanediol 66.35
    1,1-dichloroethane 511.07
    2-methyl-1-pentanol 91.71
    methyl formate 234.5
    2-methyl-1-butanol 100.56
    n-decane 8.16
    butyronitrile 161.37
    3,7-dimethyl-1-octanol 62.23
    1-chlorooctane 53.05
    1-chlorotetradecane 23.05
    n-nonane 7.29
    undecane 6.43
    tert-butylcyclohexane 10.73
    cyclooctane 8.88
    cyclopentanol 258.09
    tetrahydropyran 339.86
    tert-amyl methyl ether 82.97
    2,5,8-trioxanonane 172.86
    1-hexene 46.38
    2-isopropoxyethanol 99.91
    2,2,2-trifluoroethanol 146.76
    methyl butyrate 220.72

    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