Molecular formula
C14H18N2O7S

SMILES
CS(=O)CCC(C(=O)O)N/C=C/C1=CC(=NC(C1)C(=O)O)C(=O)O

Fragrance
Odorless	52.41%
Meaty	46.6%
Roasted	43.45%
Savory	42.0%
Cooked	32.83%
Nutty	26.39%
Popcorn	24.57%
Burnt	20.06%
Sulfurous	19.83%
Beefy	19.46%

 

Flavor
Bitter	55.0%
Odorless	47.19%
Very mild	26.33%
Roasted	23.89%
Mild	23.74%
Cooked	23.34%
Bland	23.28%
Nutty	22.24%
Yeast	21.46%
Taco	21.28%

 

Odor impact est.
Low

XLogP3-AA
-1.0

pKa est.
4.58 (weak acid)

Molecular weight
358.37 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
652°C

Flash point

• 343.73 ˚C est.

4-[(E)-2-[(1-carboxy-3-methylsulfinylpropyl)amino]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid is seen as a building block for the synthesis of dihydropyridine-containing heterocycles and is commonly used as an intermediate in pharmaceutical development and related complex heterocycles. It can also serve as a component in specialty polymers and materials as a building unit or metal-chelating linker, thanks to the carboxyl and sulfoxide groups that enable metal coordination and material design. With the conjugated and redox-active dihydropyridine core, the compound is of interest for research in electrochemical sensing, coatings and inks for electronic or smart materials. These applications are typically at the research and development stage and depend on local regulations and synthesis constraints.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1.11
methanol	7.17
isopropanol	0.44
water	11.35
ethyl acetate	0.13
n-propanol	0.59
acetone	0.79
n-butanol	0.38
acetonitrile	0.26
DMF	46.55
toluene	0.12
isobutanol	0.25
1,4-dioxane	0.59
methyl acetate	0.18
THF	1.31
2-butanone	0.34
n-pentanol	0.24
sec-butanol	0.29
n-hexane	0.06
ethylene glycol	8.53
NMP	39.6
cyclohexane	0.09
DMSO	101.03
n-butyl acetate	0.09
n-octanol	0.14
chloroform	0.09
n-propyl acetate	0.1
acetic acid	5.19
dichloromethane	0.16
cyclohexanone	1.0
propylene glycol	4.99
isopropyl acetate	0.1
DMAc	32.16
2-ethoxyethanol	3.72
isopentanol	0.26
n-heptane	0.06
ethyl formate	0.44
1,2-dichloroethane	0.18
n-hexanol	0.19
2-methoxyethanol	15.4
isobutyl acetate	0.04
tetrachloromethane	0.04
n-pentyl acetate	0.1
transcutol	4.49
n-heptanol	0.22
ethylbenzene	0.07
MIBK	0.2
2-propoxyethanol	2.4
tert-butanol	0.38
MTBE	0.08
2-butoxyethanol	1.36
propionic acid	1.02
o-xylene	0.16
formic acid	44.17
diethyl ether	0.16
m-xylene	0.1
p-xylene	0.1
chlorobenzene	0.04
dimethyl carbonate	0.94
n-octane	0.03
formamide	44.24
cyclopentanone	1.69
2-pentanone	0.37
anisole	0.17
cyclopentyl methyl ether	0.52
gamma-butyrolactone	2.03
1-methoxy-2-propanol	5.78
pyridine	0.72
3-pentanone	0.36
furfural	3.62
n-dodecane	0.01
diethylene glycol	7.42
diisopropyl ether	0.05
tert-amyl alcohol	0.31
acetylacetone	0.68
n-hexadecane	0.02
acetophenone	0.4
methyl propionate	0.41
isopentyl acetate	0.08
trichloroethylene	0.27
n-nonanol	0.16
cyclohexanol	0.46
benzyl alcohol	0.44
2-ethylhexanol	0.1
isooctanol	0.13
dipropyl ether	0.23
1,2-dichlorobenzene	0.06
ethyl lactate	0.65
propylene carbonate	0.53
n-methylformamide	11.9
2-pentanol	0.19
n-pentane	0.05
1-propoxy-2-propanol	1.11
1-methoxy-2-propyl acetate	0.4
2-(2-methoxypropoxy) propanol	1.72
mesitylene	0.08
ε-caprolactone	0.71
p-cymene	0.05
epichlorohydrin	0.94
1,1,1-trichloroethane	0.04
2-aminoethanol	7.97
morpholine-4-carbaldehyde	13.16
sulfolane	14.63
2,2,4-trimethylpentane	0.01
2-methyltetrahydrofuran	0.3
n-hexyl acetate	0.13
isooctane	0.01
2-(2-butoxyethoxy)ethanol	2.4
sec-butyl acetate	0.05
tert-butyl acetate	0.13
decalin	0.02
glycerin	23.37
diglyme	4.13
acrylic acid	2.54
isopropyl myristate	0.06
n-butyric acid	0.73
acetyl acetate	0.12
di(2-ethylhexyl) phthalate	0.2
ethyl propionate	0.15
nitromethane	5.25
1,2-diethoxyethane	0.27
benzonitrile	0.17
trioctyl phosphate	0.14
1-bromopropane	0.07
gamma-valerolactone	5.22
n-decanol	0.12
triethyl phosphate	0.22
4-methyl-2-pentanol	0.11
propionitrile	0.2
vinylene carbonate	0.65
1,1,2-trichlorotrifluoroethane	5.08
DMS	0.25
cumene	0.06
2-octanol	0.11
2-hexanone	0.18
octyl acetate	0.1
limonene	0.08
1,2-dimethoxyethane	3.3
ethyl orthosilicate	0.19
tributyl phosphate	0.14
diacetone alcohol	0.99
N,N-dimethylaniline	0.39
acrylonitrile	0.51
aniline	0.36
1,3-propanediol	4.34
bromobenzene	0.03
dibromomethane	0.08
1,1,2,2-tetrachloroethane	0.28
2-methyl-cyclohexyl acetate	0.15
tetrabutyl urea	0.44
diisobutyl methanol	0.07
2-phenylethanol	0.28
styrene	0.07
dioctyl adipate	0.15
dimethyl sulfate	3.97
ethyl butyrate	0.14
methyl lactate	2.83
butyl lactate	0.43
diethyl carbonate	0.12
propanediol butyl ether	1.72
triethyl orthoformate	0.21
p-tert-butyltoluene	0.05
methyl 4-tert-butylbenzoate	0.63
morpholine	1.38
tert-butylamine	0.14
n-dodecanol	0.09
dimethoxymethane	6.58
ethylene carbonate	0.4
cyrene	3.83
2-ethoxyethyl acetate	0.22
2-ethylhexyl acetate	0.06
1,2,4-trichlorobenzene	0.1
4-methylpyridine	0.43
dibutyl ether	0.1
2,6-dimethyl-4-heptanol	0.07
DEF	1.76
dimethyl isosorbide	2.48
tetrachloroethylene	0.32
eugenol	1.1
triacetin	0.36
span 80	1.09
1,4-butanediol	1.66
1,1-dichloroethane	0.05
2-methyl-1-pentanol	0.18
methyl formate	5.87
2-methyl-1-butanol	0.27
n-decane	0.03
butyronitrile	0.16
3,7-dimethyl-1-octanol	0.09
1-chlorooctane	0.05
1-chlorotetradecane	0.02
n-nonane	0.03
undecane	0.02
tert-butylcyclohexane	0.01
cyclooctane	0.04
cyclopentanol	0.65
tetrahydropyran	0.3
tert-amyl methyl ether	0.13
2,5,8-trioxanonane	3.81
1-hexene	0.09
2-isopropoxyethanol	0.96
2,2,2-trifluoroethanol	3.0
methyl butyrate	0.26

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