Molecular formula
C7H13NS2

SMILES
CCC1SC(N=C(S1)C)C

Fragrance
Meaty	64.8%
Roasted	54.65%
Sulfurous	53.33%
Nutty	52.66%
Onion	40.17%
Cooked	38.26%
Vegetable	35.74%
Beefy	35.5%
Alliaceous	35.21%
Savory	30.87%

 

Flavor
Roasted	45.58%
Sulfurous	44.64%
Green	42.1%
Vegetable	36.77%
Meaty	35.38%
Onion	28.65%
Nutty	28.12%
Alliaceous	28.03%
Earthy	24.7%
Sulfur	24.26%

 

Odor impact est.
High

XLogP3-AA
2.5

pKa est.
5.48 (weak acid)

Molecular weight
175.3 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderately slow

Boiling point est.
245°C

Flash point

• 100.28 ˚C est.

• NS00121007

2-ethyl-4,6-dimethyl-4H-1,3,5-dithiazine (CAS number: ) may serve as an intermediate in the organic synthesis of heterocycles; may function as a building block in pharmaceutical and agrochemical research; could be explored as a precursor for specialty polymers or materials; may appear in coatings/inks as a reactive intermediate; has potential for electronics-related materials as a component of organic semiconductors.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	252.11
methanol	307.41
isopropanol	199.85
water	1.16
ethyl acetate	594.96
n-propanol	228.78
acetone	897.7
n-butanol	219.63
acetonitrile	511.15
DMF	1088.98
toluene	593.3
isobutanol	177.58
1,4-dioxane	1083.04
methyl acetate	561.66
THF	1576.04
2-butanone	629.53
n-pentanol	140.17
sec-butanol	173.53
n-hexane	28.57
ethylene glycol	107.45
NMP	1352.78
cyclohexane	99.93
DMSO	1247.51
n-butyl acetate	486.11
n-octanol	179.42
chloroform	1465.66
n-propyl acetate	303.31
acetic acid	401.11
dichloromethane	1262.84
cyclohexanone	1333.4
propylene glycol	122.67
isopropyl acetate	402.94
DMAc	800.16
2-ethoxyethanol	300.09
isopentanol	188.62
n-heptane	47.96
ethyl formate	394.72
1,2-dichloroethane	790.1
n-hexanol	251.87
2-methoxyethanol	587.46
isobutyl acetate	230.43
tetrachloromethane	298.84
n-pentyl acetate	352.42
transcutol	904.27
n-heptanol	151.29
ethylbenzene	187.46
MIBK	356.22
2-propoxyethanol	558.96
tert-butanol	262.86
MTBE	325.12
2-butoxyethanol	287.17
propionic acid	318.5
o-xylene	312.32
formic acid	115.8
diethyl ether	388.31
m-xylene	395.94
p-xylene	224.32
chlorobenzene	800.66
dimethyl carbonate	330.96
n-octane	24.32
formamide	168.27
cyclopentanone	1594.75
2-pentanone	584.72
anisole	477.51
cyclopentyl methyl ether	740.52
gamma-butyrolactone	1482.68
1-methoxy-2-propanol	455.14
pyridine	1051.51
3-pentanone	472.15
furfural	1489.09
n-dodecane	23.43
diethylene glycol	437.71
diisopropyl ether	143.97
tert-amyl alcohol	202.92
acetylacetone	943.44
n-hexadecane	28.62
acetophenone	450.2
methyl propionate	494.46
isopentyl acetate	428.17
trichloroethylene	1701.45
n-nonanol	151.16
cyclohexanol	336.17
benzyl alcohol	315.6
2-ethylhexanol	187.53
isooctanol	126.42
dipropyl ether	260.82
1,2-dichlorobenzene	680.11
ethyl lactate	166.39
propylene carbonate	790.72
n-methylformamide	450.77
2-pentanol	151.72
n-pentane	35.14
1-propoxy-2-propanol	377.77
1-methoxy-2-propyl acetate	557.6
2-(2-methoxypropoxy) propanol	307.37
mesitylene	256.04
ε-caprolactone	968.55
p-cymene	174.19
epichlorohydrin	1349.64
1,1,1-trichloroethane	1023.52
2-aminoethanol	147.54
morpholine-4-carbaldehyde	1261.69
sulfolane	1898.3
2,2,4-trimethylpentane	27.36
2-methyltetrahydrofuran	960.69
n-hexyl acetate	475.31
isooctane	25.02
2-(2-butoxyethoxy)ethanol	387.33
sec-butyl acetate	224.82
tert-butyl acetate	476.3
decalin	56.74
glycerin	221.05
diglyme	749.62
acrylic acid	346.6
isopropyl myristate	194.38
n-butyric acid	437.23
acetyl acetate	537.92
di(2-ethylhexyl) phthalate	203.15
ethyl propionate	277.56
nitromethane	986.93
1,2-diethoxyethane	408.23
benzonitrile	620.68
trioctyl phosphate	139.28
1-bromopropane	425.35
gamma-valerolactone	1812.98
n-decanol	110.06
triethyl phosphate	188.45
4-methyl-2-pentanol	108.75
propionitrile	371.26
vinylene carbonate	804.02
1,1,2-trichlorotrifluoroethane	828.23
DMS	449.68
cumene	131.14
2-octanol	122.02
2-hexanone	321.15
octyl acetate	240.73
limonene	258.16
1,2-dimethoxyethane	574.48
ethyl orthosilicate	172.27
tributyl phosphate	169.82
diacetone alcohol	431.64
N,N-dimethylaniline	286.46
acrylonitrile	523.57
aniline	491.77
1,3-propanediol	241.75
bromobenzene	931.96
dibromomethane	814.24
1,1,2,2-tetrachloroethane	1138.23
2-methyl-cyclohexyl acetate	303.87
tetrabutyl urea	221.3
diisobutyl methanol	121.59
2-phenylethanol	379.96
styrene	277.47
dioctyl adipate	264.52
dimethyl sulfate	599.01
ethyl butyrate	319.38
methyl lactate	272.77
butyl lactate	234.26
diethyl carbonate	224.19
propanediol butyl ether	288.82
triethyl orthoformate	239.96
p-tert-butyltoluene	177.87
methyl 4-tert-butylbenzoate	387.08
morpholine	952.68
tert-butylamine	144.11
n-dodecanol	85.92
dimethoxymethane	723.39
ethylene carbonate	644.99
cyrene	381.21
2-ethoxyethyl acetate	496.38
2-ethylhexyl acetate	370.77
1,2,4-trichlorobenzene	835.99
4-methylpyridine	1033.98
dibutyl ether	234.45
2,6-dimethyl-4-heptanol	121.59
DEF	596.72
dimethyl isosorbide	675.62
tetrachloroethylene	721.94
eugenol	355.61
triacetin	446.04
span 80	323.51
1,4-butanediol	97.28
1,1-dichloroethane	820.18
2-methyl-1-pentanol	138.11
methyl formate	487.42
2-methyl-1-butanol	181.48
n-decane	38.47
butyronitrile	385.06
3,7-dimethyl-1-octanol	175.78
1-chlorooctane	177.13
1-chlorotetradecane	76.28
n-nonane	37.38
undecane	29.06
tert-butylcyclohexane	48.94
cyclooctane	44.82
cyclopentanol	385.26
tetrahydropyran	856.04
tert-amyl methyl ether	272.33
2,5,8-trioxanonane	530.88
1-hexene	106.06
2-isopropoxyethanol	221.58
2,2,2-trifluoroethanol	202.78
methyl butyrate	365.29

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