4H-1,3,5-Dithiazine,dihydro-2,4,6-trimethyl-

  • Identifiers

    Molecular formula
    C6H11NS2

    SMILES
    CC1N=C(SC(S1)C)C

  • Odor profile

    Fragrance
    Meaty 71.1%
    Sulfurous 55.89%
    Roasted 53.62%
    Nutty 47.79%
    Beefy 39.46%
    Onion 36.34%
    Cooked 36.14%
    Alliaceous 32.77%
    Vegetable 31.95%
    Savory 29.49%

     

    Flavor
    Roasted 49.52%
    Meaty 40.96%
    Sulfurous 40.66%
    Nutty 39.69%
    Vegetable 37.81%
    Green 33.12%
    Sulfur 29.23%
    Onion 28.35%
    Alliaceous 27.68%
    Cocoa 26.36%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    5.41 (weak acid)

    Molecular weight
    161.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    231°C

    Flash point

    • 92.26 ˚C est.

  • Synonyms

    • 4H-1,3,5-Dithiazine,dihydro-2,4,6-trimethyl-
    • 2,4,6-TRIMETHYL-1,3,5-DITHIAZINE
    • SCHEMBL9533332
    • NFYXFXOCHNOCMZ-UHFFFAOYSA-N
    • AKOS015897619
  • Applications

    4H-1,3,5-Dithiazine,dihydro-2,4,6-trimethyl- is primarily used as an intermediate in organic synthesis, providing a building block for sulfur-nitrogen–containing heterocycles; it may be employed as an intermediate or scaffold in pharmaceutical and agrochemical syntheses. In polymer and coatings applications, it is evaluated as a precursor or linking unit for functional materials and coatings. In electronics and sensing, the dithiazine core shows potential as a redox-active, stable heterocyclic unit for advanced materials. Actual use depends on local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 275.6
    methanol 315.23
    isopropanol 165.26
    water 4.78
    ethyl acetate 568.04
    n-propanol 214.92
    acetone 668.05
    n-butanol 195.98
    acetonitrile 479.02
    DMF 513.03
    toluene 483.76
    isobutanol 151.71
    1,4-dioxane 923.11
    methyl acetate 500.69
    THF 1140.54
    2-butanone 491.32
    n-pentanol 126.38
    sec-butanol 157.17
    n-hexane 28.88
    ethylene glycol 93.37
    NMP 908.98
    cyclohexane 99.13
    DMSO 640.89
    n-butyl acetate 440.14
    n-octanol 143.99
    chloroform 1367.07
    n-propyl acetate 252.82
    acetic acid 557.48
    dichloromethane 1126.47
    cyclohexanone 933.78
    propylene glycol 96.61
    isopropyl acetate 302.53
    DMAc 493.5
    2-ethoxyethanol 260.51
    isopentanol 153.56
    n-heptane 48.88
    ethyl formate 358.37
    1,2-dichloroethane 571.22
    n-hexanol 238.79
    2-methoxyethanol 471.52
    isobutyl acetate 172.83
    tetrachloromethane 258.83
    n-pentyl acetate 289.53
    transcutol 915.95
    n-heptanol 132.59
    ethylbenzene 130.44
    MIBK 234.05
    2-propoxyethanol 503.5
    tert-butanol 195.19
    MTBE 240.42
    2-butoxyethanol 256.64
    propionic acid 312.12
    o-xylene 222.56
    formic acid 205.68
    diethyl ether 351.66
    m-xylene 276.55
    p-xylene 158.3
    chlorobenzene 610.52
    dimethyl carbonate 228.48
    n-octane 19.09
    formamide 248.57
    cyclopentanone 1009.92
    2-pentanone 414.09
    anisole 341.77
    cyclopentyl methyl ether 532.16
    gamma-butyrolactone 1143.8
    1-methoxy-2-propanol 324.86
    pyridine 807.99
    3-pentanone 351.66
    furfural 1100.22
    n-dodecane 17.81
    diethylene glycol 361.46
    diisopropyl ether 115.61
    tert-amyl alcohol 159.87
    acetylacetone 611.04
    n-hexadecane 21.39
    acetophenone 306.78
    methyl propionate 399.56
    isopentyl acetate 337.03
    trichloroethylene 1357.75
    n-nonanol 123.78
    cyclohexanol 300.36
    benzyl alcohol 235.26
    2-ethylhexanol 160.22
    isooctanol 101.26
    dipropyl ether 235.23
    1,2-dichlorobenzene 490.12
    ethyl lactate 125.6
    propylene carbonate 617.11
    n-methylformamide 341.9
    2-pentanol 125.26
    n-pentane 38.94
    1-propoxy-2-propanol 344.73
    1-methoxy-2-propyl acetate 457.35
    2-(2-methoxypropoxy) propanol 247.74
    mesitylene 159.03
    ε-caprolactone 753.7
    p-cymene 124.51
    epichlorohydrin 1009.59
    1,1,1-trichloroethane 766.21
    2-aminoethanol 143.79
    morpholine-4-carbaldehyde 868.37
    sulfolane 1083.13
    2,2,4-trimethylpentane 22.61
    2-methyltetrahydrofuran 807.54
    n-hexyl acetate 368.12
    isooctane 17.8
    2-(2-butoxyethoxy)ethanol 334.85
    sec-butyl acetate 177.39
    tert-butyl acetate 323.79
    decalin 41.39
    glycerin 170.44
    diglyme 630.34
    acrylic acid 338.72
    isopropyl myristate 143.85
    n-butyric acid 394.78
    acetyl acetate 513.19
    di(2-ethylhexyl) phthalate 153.74
    ethyl propionate 215.23
    nitromethane 1013.2
    1,2-diethoxyethane 385.19
    benzonitrile 447.13
    trioctyl phosphate 105.51
    1-bromopropane 350.73
    gamma-valerolactone 1336.94
    n-decanol 90.9
    triethyl phosphate 148.7
    4-methyl-2-pentanol 80.57
    propionitrile 316.94
    vinylene carbonate 636.86
    1,1,2-trichlorotrifluoroethane 624.25
    DMS 326.53
    cumene 85.83
    2-octanol 95.27
    2-hexanone 245.34
    octyl acetate 188.84
    limonene 189.78
    1,2-dimethoxyethane 434.25
    ethyl orthosilicate 139.37
    tributyl phosphate 136.45
    diacetone alcohol 278.33
    N,N-dimethylaniline 188.81
    acrylonitrile 393.84
    aniline 398.19
    1,3-propanediol 205.28
    bromobenzene 661.88
    dibromomethane 740.52
    1,1,2,2-tetrachloroethane 827.69
    2-methyl-cyclohexyl acetate 237.47
    tetrabutyl urea 164.75
    diisobutyl methanol 89.79
    2-phenylethanol 299.09
    styrene 191.32
    dioctyl adipate 204.41
    dimethyl sulfate 347.06
    ethyl butyrate 263.48
    methyl lactate 187.98
    butyl lactate 184.45
    diethyl carbonate 190.93
    propanediol butyl ether 218.49
    triethyl orthoformate 207.34
    p-tert-butyltoluene 123.36
    methyl 4-tert-butylbenzoate 291.98
    morpholine 786.92
    tert-butylamine 114.6
    n-dodecanol 71.93
    dimethoxymethane 449.24
    ethylene carbonate 515.14
    cyrene 296.1
    2-ethoxyethyl acetate 424.52
    2-ethylhexyl acetate 300.05
    1,2,4-trichlorobenzene 586.99
    4-methylpyridine 768.32
    dibutyl ether 186.76
    2,6-dimethyl-4-heptanol 89.79
    DEF 407.35
    dimethyl isosorbide 523.29
    tetrachloroethylene 558.69
    eugenol 260.47
    triacetin 357.68
    span 80 250.35
    1,4-butanediol 83.44
    1,1-dichloroethane 649.87
    2-methyl-1-pentanol 115.92
    methyl formate 359.12
    2-methyl-1-butanol 153.76
    n-decane 29.44
    butyronitrile 329.89
    3,7-dimethyl-1-octanol 132.61
    1-chlorooctane 126.28
    1-chlorotetradecane 56.41
    n-nonane 28.38
    undecane 22.17
    tert-butylcyclohexane 34.57
    cyclooctane 40.84
    cyclopentanol 313.75
    tetrahydropyran 729.41
    tert-amyl methyl ether 206.08
    2,5,8-trioxanonane 447.2
    1-hexene 93.42
    2-isopropoxyethanol 196.8
    2,2,2-trifluoroethanol 256.06
    methyl butyrate 264.41

    Scent© AI

1 of 4
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