Molecular formula
C17H19NOS

SMILES
CC1=CC(=C(C=C1)C)NC(=O)C(C)SC2=CC=CC=C2

Fragrance
Fruity	79.5%
Meaty	49.63%
Fatty	46.77%
Grape	39.07%
Tropical	38.84%
Roasted	37.17%
Grapefruit	35.18%
Citrus	34.16%
Cooked	32.79%
Savory	31.98%

 

Flavor
Bitter	36.9%
Mild	26.47%
Odorless	25.25%
Roasted	23.75%
Scallion	20.76%
Nitrile	20.7%
Orange flower	19.98%
Turnup	19.85%
Meaty	19.63%
Very strong	19.58%

 

Odor impact est.
Low

XLogP3-AA
4.1

pKa est.
6.92 (neutral)

Molecular weight
285.4 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
428°C

Flash point

• 188.75 ˚C est.

• N-(2,5-dimethylphenyl)-2-phenylsulfanylpropanamide
• N-(2,5-dimethylphenyl)-2-(phenylsulfanyl)propanamide
• Cambridge id 6221983
• Oprea1_077375
• Oprea1_456605
• AKOS008456426
• AG-690/15438865

N-(2,5-dimethylphenyl)-2-phenylsulfanylpropanamide is typically used as a synthetic intermediate in the development of pharmaceuticals and agrochemicals; it also serves as a building block for general organic synthesis and as a precursor for transformations on the aromatic ring. In research and development contexts, it is used as a basis for structure–activity relationship (SAR) studies in medicinal chemistry and may provide a platform for preparing specialty polymers and coating formulations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	89.59
methanol	85.71
isopropanol	51.91
water	0.17
ethyl acetate	246.01
n-propanol	76.37
acetone	351.39
n-butanol	64.57
acetonitrile	124.96
DMF	866.41
toluene	74.08
isobutanol	44.84
1,4-dioxane	471.19
methyl acetate	274.13
THF	582.09
2-butanone	343.08
n-pentanol	65.05
sec-butanol	51.12
n-hexane	0.88
ethylene glycol	12.01
NMP	328.59
cyclohexane	2.3
DMSO	305.25
n-butyl acetate	139.67
n-octanol	34.91
chloroform	622.17
n-propyl acetate	145.56
acetic acid	127.01
dichloromethane	579.14
cyclohexanone	376.81
propylene glycol	33.15
isopropyl acetate	112.33
DMAc	872.33
2-ethoxyethanol	159.81
isopentanol	57.15
n-heptane	1.89
ethyl formate	156.31
1,2-dichloroethane	394.41
n-hexanol	65.48
2-methoxyethanol	203.13
isobutyl acetate	92.1
tetrachloromethane	18.63
n-pentyl acetate	81.33
transcutol	393.5
n-heptanol	43.73
ethylbenzene	41.71
MIBK	104.55
2-propoxyethanol	170.59
tert-butanol	59.79
MTBE	78.95
2-butoxyethanol	110.69
propionic acid	97.52
o-xylene	38.89
formic acid	34.9
diethyl ether	97.72
m-xylene	40.37
p-xylene	54.7
chlorobenzene	149.88
dimethyl carbonate	114.14
n-octane	1.5
formamide	97.45
cyclopentanone	547.46
2-pentanone	202.62
anisole	140.63
cyclopentyl methyl ether	126.22
gamma-butyrolactone	487.22
1-methoxy-2-propanol	150.97
pyridine	327.52
3-pentanone	172.18
furfural	370.3
n-dodecane	1.86
diethylene glycol	108.37
diisopropyl ether	18.55
tert-amyl alcohol	53.44
acetylacetone	257.36
n-hexadecane	2.21
acetophenone	143.27
methyl propionate	211.1
isopentyl acetate	116.79
trichloroethylene	782.0
n-nonanol	35.35
cyclohexanol	53.45
benzyl alcohol	109.82
2-ethylhexanol	43.45
isooctanol	37.37
dipropyl ether	48.47
1,2-dichlorobenzene	131.32
ethyl lactate	65.69
propylene carbonate	230.19
n-methylformamide	219.82
2-pentanol	36.14
n-pentane	0.65
1-propoxy-2-propanol	115.84
1-methoxy-2-propyl acetate	151.29
2-(2-methoxypropoxy) propanol	94.52
mesitylene	19.59
ε-caprolactone	264.85
p-cymene	25.42
epichlorohydrin	644.01
1,1,1-trichloroethane	174.85
2-aminoethanol	42.24
morpholine-4-carbaldehyde	408.76
sulfolane	381.36
2,2,4-trimethylpentane	1.76
2-methyltetrahydrofuran	229.55
n-hexyl acetate	96.7
isooctane	1.35
2-(2-butoxyethoxy)ethanol	136.63
sec-butyl acetate	90.05
tert-butyl acetate	104.44
decalin	3.39
glycerin	49.43
diglyme	290.84
acrylic acid	89.74
isopropyl myristate	36.45
n-butyric acid	134.4
acetyl acetate	130.13
di(2-ethylhexyl) phthalate	45.52
ethyl propionate	114.64
nitromethane	396.27
1,2-diethoxyethane	149.19
benzonitrile	135.11
trioctyl phosphate	28.67
1-bromopropane	101.52
gamma-valerolactone	610.21
n-decanol	26.03
triethyl phosphate	50.57
4-methyl-2-pentanol	28.72
propionitrile	110.28
vinylene carbonate	225.11
1,1,2-trichlorotrifluoroethane	250.65
DMS	110.76
cumene	26.51
2-octanol	28.94
2-hexanone	144.57
octyl acetate	49.32
limonene	32.36
1,2-dimethoxyethane	296.95
ethyl orthosilicate	46.85
tributyl phosphate	36.27
diacetone alcohol	117.54
N,N-dimethylaniline	75.35
acrylonitrile	161.74
aniline	99.12
1,3-propanediol	71.56
bromobenzene	139.64
dibromomethane	275.43
1,1,2,2-tetrachloroethane	515.39
2-methyl-cyclohexyl acetate	81.08
tetrabutyl urea	51.99
diisobutyl methanol	24.36
2-phenylethanol	97.56
styrene	57.31
dioctyl adipate	63.01
dimethyl sulfate	164.61
ethyl butyrate	100.71
methyl lactate	86.53
butyl lactate	69.69
diethyl carbonate	70.29
propanediol butyl ether	87.62
triethyl orthoformate	66.86
p-tert-butyltoluene	22.93
methyl 4-tert-butylbenzoate	97.52
morpholine	441.88
tert-butylamine	25.35
n-dodecanol	19.48
dimethoxymethane	325.86
ethylene carbonate	177.53
cyrene	127.9
2-ethoxyethyl acetate	149.72
2-ethylhexyl acetate	91.6
1,2,4-trichlorobenzene	154.63
4-methylpyridine	291.23
dibutyl ether	46.4
2,6-dimethyl-4-heptanol	24.36
DEF	238.03
dimethyl isosorbide	188.28
tetrachloroethylene	238.92
eugenol	106.08
triacetin	111.82
span 80	78.62
1,4-butanediol	37.77
1,1-dichloroethane	273.01
2-methyl-1-pentanol	64.75
methyl formate	191.85
2-methyl-1-butanol	51.28
n-decane	3.04
butyronitrile	111.77
3,7-dimethyl-1-octanol	34.87
1-chlorooctane	21.43
1-chlorotetradecane	8.81
n-nonane	2.41
undecane	2.29
tert-butylcyclohexane	3.38
cyclooctane	0.82
cyclopentanol	65.63
tetrahydropyran	275.63
tert-amyl methyl ether	58.35
2,5,8-trioxanonane	178.52
1-hexene	13.47
2-isopropoxyethanol	112.14
2,2,2-trifluoroethanol	51.81
methyl butyrate	159.87

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