Công thức phân tử
C8H10OS

SMILES
CCCC1=C(C=CS1)C=O

Rang cháy	47.74%
Trái cây	46.57%
Hạt	45.29%
Xanh	42.74%
Béo	40.19%
Thịt	35.4%
Caramel	34.07%
Cay	29.22%
Rau củ	29.17%
Cháy	28.79%

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XLogP3-AA
2.3

pKa ước lượng
6.32 (trung tính)

Khối lượng phân tử
154.23 g/mol

Áp suất hơi ước lượng

• hPa @ 20°C
• hPa @ 25°C

Tốc độ bay hơi
Tương đối chậm

Nhiệt độ sôi ước lượng
235°C

Nhiệt độ chớp cháy ước lượng
89.6 ˚C

• SCHEMBL17428932

Dung môi	Độ tan (g/L)
ethanol	614.44
methanol	500.74
isopropanol	417.28
water	0.76
ethyl acetate	1034.54
n-propanol	464.1
acetone	1994.59
n-butanol	414.46
acetonitrile	1038.8
DMF	2320.08
toluene	635.05
isobutanol	328.94
1,4-dioxane	1336.87
methyl acetate	1104.06
THF	2135.96
2-butanone	1402.15
n-pentanol	253.8
sec-butanol	308.25
n-hexane	28.83
ethylene glycol	149.81
NMP	1790.5
cyclohexane	79.93
DMSO	2200.49
n-butyl acetate	557.18
n-octanol	147.77
chloroform	2398.26
n-propyl acetate	550.44
acetic acid	548.84
dichloromethane	3165.05
cyclohexanone	1888.86
propylene glycol	150.46
isopropyl acetate	530.73
DMAc	911.91
2-ethoxyethanol	447.36
isopentanol	322.48
n-heptane	30.95
ethyl formate	627.78
1,2-dichloroethane	2297.03
n-hexanol	324.01
2-methoxyethanol	808.09
isobutyl acetate	333.56
tetrachloromethane	356.2
n-pentyl acetate	326.18
transcutol	1242.99
n-heptanol	145.8
ethylbenzene	220.59
MIBK	496.72
2-propoxyethanol	607.99
tert-butanol	421.46
MTBE	484.47
2-butoxyethanol	299.13
propionic acid	486.5
o-xylene	280.78
formic acid	139.21
diethyl ether	633.66
m-xylene	385.09
p-xylene	273.79
chlorobenzene	1098.39
dimethyl carbonate	405.69
n-octane	19.09
formamide	356.15
cyclopentanone	2541.47
2-pentanone	1021.7
anisole	508.65
cyclopentyl methyl ether	820.32
gamma-butyrolactone	2385.31
1-methoxy-2-propanol	632.27
pyridine	1575.09
3-pentanone	706.07
furfural	1590.05
n-dodecane	18.26
diethylene glycol	488.96
diisopropyl ether	165.89
tert-amyl alcohol	306.22
acetylacetone	1177.03
n-hexadecane	22.34
acetophenone	486.29
methyl propionate	836.12
isopentyl acetate	450.5
trichloroethylene	3943.03
n-nonanol	130.85
cyclohexanol	439.13
benzyl alcohol	396.08
2-ethylhexanol	177.28
isooctanol	126.46
dipropyl ether	232.33
1,2-dichlorobenzene	842.8
ethyl lactate	208.93
propylene carbonate	1004.88
n-methylformamide	1054.0
2-pentanol	255.72
n-pentane	35.41
1-propoxy-2-propanol	388.61
1-methoxy-2-propyl acetate	551.37
2-(2-methoxypropoxy) propanol	256.27
mesitylene	221.61
ε-caprolactone	1243.62
p-cymene	132.84
epichlorohydrin	2630.04
1,1,1-trichloroethane	1639.63
2-aminoethanol	230.47
morpholine-4-carbaldehyde	1375.22
sulfolane	2249.42
2,2,4-trimethylpentane	26.61
2-methyltetrahydrofuran	1304.38
n-hexyl acetate	418.37
isooctane	27.44
2-(2-butoxyethoxy)ethanol	372.63
sec-butyl acetate	321.3
tert-butyl acetate	549.65
decalin	50.11
glycerin	232.76
diglyme	766.66
acrylic acid	469.99
isopropyl myristate	160.12
n-butyric acid	667.44
acetyl acetate	539.04
di(2-ethylhexyl) phthalate	147.06
ethyl propionate	420.55
nitromethane	1563.46
1,2-diethoxyethane	498.31
benzonitrile	754.56
trioctyl phosphate	109.27
1-bromopropane	903.57
gamma-valerolactone	2169.85
n-decanol	102.23
triethyl phosphate	155.54
4-methyl-2-pentanol	157.55
propionitrile	717.12
vinylene carbonate	940.38
1,1,2-trichlorotrifluoroethane	928.03
DMS	445.18
cumene	131.98
2-octanol	113.67
2-hexanone	541.57
octyl acetate	195.73
limonene	193.56
1,2-dimethoxyethane	787.15
ethyl orthosilicate	146.54
tributyl phosphate	139.7
diacetone alcohol	523.67
N,N-dimethylaniline	267.53
acrylonitrile	1129.64
aniline	599.82
1,3-propanediol	366.69
bromobenzene	1240.22
dibromomethane	1882.82
1,1,2,2-tetrachloroethane	2141.8
2-methyl-cyclohexyl acetate	265.93
tetrabutyl urea	191.91
diisobutyl methanol	125.86
2-phenylethanol	367.52
styrene	351.44
dioctyl adipate	207.13
dimethyl sulfate	689.65
ethyl butyrate	330.07
methyl lactate	296.68
butyl lactate	224.98
diethyl carbonate	213.22
propanediol butyl ether	279.01
triethyl orthoformate	208.52
p-tert-butyltoluene	130.48
methyl 4-tert-butylbenzoate	317.81
morpholine	1370.03
tert-butylamine	230.66
n-dodecanol	79.65
dimethoxymethane	1040.65
ethylene carbonate	755.72
cyrene	364.98
2-ethoxyethyl acetate	482.49
2-ethylhexyl acetate	345.4
1,2,4-trichlorobenzene	906.78
4-methylpyridine	1432.27
dibutyl ether	205.19
2,6-dimethyl-4-heptanol	125.86
DEF	941.58
dimethyl isosorbide	553.71
tetrachloroethylene	1372.34
eugenol	333.86
triacetin	352.3
span 80	246.11
1,4-butanediol	156.65
1,1-dichloroethane	1991.09
2-methyl-1-pentanol	216.19
methyl formate	869.41
2-methyl-1-butanol	284.51
n-decane	27.76
butyronitrile	696.86
3,7-dimethyl-1-octanol	153.51
1-chlorooctane	152.86
1-chlorotetradecane	63.15
n-nonane	26.43
undecane	22.22
tert-butylcyclohexane	46.78
cyclooctane	28.52
cyclopentanol	552.22
tetrahydropyran	1218.41
tert-amyl methyl ether	317.77
2,5,8-trioxanonane	447.02
1-hexene	160.23
2-isopropoxyethanol	317.27
2,2,2-trifluoroethanol	236.76
methyl butyrate	595.12

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