4H-1,3,5-Dithiazine,dihydro-2,4,6-trimethyl-
-
Identifiers
Molecular formula
C6H11NS2SMILES
CC1N=C(SC(S1)C)C
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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
2.0pKa est.
5.41 (weak acid)Molecular weight
161.3 g/molVapor pressure est.
- hPa @ 20°C
- hPa @ 25°C
Evaporation rate
ModerateBoiling point est.
231°CFlash point
- 92.26 ˚C est.
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Synonyms
- 4H-1,3,5-Dithiazine,dihydro-2,4,6-trimethyl-
- 2,4,6-TRIMETHYL-1,3,5-DITHIAZINE
- SCHEMBL9533332
- NFYXFXOCHNOCMZ-UHFFFAOYSA-N
- AKOS015897619
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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
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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
| 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 |