Molecular formula
C7H6O2S

SMILES
C1=CSC=C1C=CC(=O)O

Fragrance
Burnt	43.35%
Roasted	42.42%
Nutty	36.97%
Caramellic	35.28%
Meaty	34.78%
Sulfurous	34.38%
Odorless	29.63%
Savory	29.38%
Spicy	29.13%
Cooked	28.55%

 

Flavor
Odorless	38.31%
Nutty	34.67%
Balsam	30.76%
Sour	26.98%
Faint	25.75%
Cinnamon	23.25%
Balsamic	22.25%
Mild	22.1%
Phenolic	22.06%
Urine	22.05%

 

Odor impact est.
High

XLogP3-AA
1.6

pKa est.
6.66 (neutral)

Molecular weight
154.19 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
299°C

Flash point

• 144.43 ˚C est.

• 3-thiophen-3-ylprop-2-enoic acid
• 3-Thiophene-3-yl-acrylic acid
• (E)-3-(3-Thienyl)acrylic acid
• DTXSID301312217
• PD049645
• SY099347
• DB-041479

3-Thiophen-3-ylprop-2-enoic acid is primarily used as an organic synthesis intermediate, serving as a monomer or building block to prepare thiophene-containing polymers and conjugated materials for electronics and optoelectronics; in coatings and inks, it can be converted to functional esters or acrylate derivatives for UV-curable resins and adhesives; in pharmaceutical and agrochemical development, it provides a route to introduce thiophene motifs into complex molecules; it also serves as a versatile intermediate for downstream functionalization and crosslinking in polymer and materials chemistry.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	145.48
methanol	160.95
isopropanol	129.4
water	2.64
ethyl acetate	58.87
n-propanol	119.45
acetone	137.98
n-butanol	113.27
acetonitrile	49.36
DMF	560.26
toluene	20.54
isobutanol	84.7
1,4-dioxane	76.02
methyl acetate	64.0
THF	137.98
2-butanone	124.71
n-pentanol	92.09
sec-butanol	105.83
n-hexane	1.96
ethylene glycol	78.33
NMP	185.93
cyclohexane	2.1
DMSO	324.79
n-butyl acetate	40.97
n-octanol	49.0
chloroform	14.98
n-propyl acetate	43.41
acetic acid	50.14
dichloromethane	21.78
cyclohexanone	73.29
propylene glycol	90.74
isopropyl acetate	46.89
DMAc	385.83
2-ethoxyethanol	156.93
isopentanol	96.52
n-heptane	5.05
ethyl formate	47.32
1,2-dichloroethane	22.77
n-hexanol	70.94
2-methoxyethanol	233.16
isobutyl acetate	27.45
tetrachloromethane	3.03
n-pentyl acetate	35.69
transcutol	201.91
n-heptanol	45.2
ethylbenzene	18.1
MIBK	68.68
2-propoxyethanol	135.96
tert-butanol	134.78
MTBE	54.85
2-butoxyethanol	85.37
propionic acid	51.83
o-xylene	26.95
formic acid	37.06
diethyl ether	45.78
m-xylene	25.23
p-xylene	20.27
chlorobenzene	15.14
dimethyl carbonate	49.09
n-octane	2.48
formamide	79.72
cyclopentanone	112.44
2-pentanone	103.08
anisole	56.06
cyclopentyl methyl ether	53.26
gamma-butyrolactone	91.63
1-methoxy-2-propanol	210.69
pyridine	53.25
3-pentanone	63.35
furfural	87.57
n-dodecane	3.72
diethylene glycol	127.47
diisopropyl ether	18.05
tert-amyl alcohol	103.18
acetylacetone	94.91
n-hexadecane	4.08
acetophenone	59.54
methyl propionate	77.06
isopentyl acetate	40.89
trichloroethylene	35.75
n-nonanol	46.51
cyclohexanol	55.48
benzyl alcohol	61.45
2-ethylhexanol	41.1
isooctanol	37.26
dipropyl ether	38.25
1,2-dichlorobenzene	18.33
ethyl lactate	45.24
propylene carbonate	49.97
n-methylformamide	155.44
2-pentanol	79.74
n-pentane	2.71
1-propoxy-2-propanol	103.91
1-methoxy-2-propyl acetate	67.88
2-(2-methoxypropoxy) propanol	97.1
mesitylene	18.74
ε-caprolactone	58.97
p-cymene	20.51
epichlorohydrin	94.69
1,1,1-trichloroethane	14.74
2-aminoethanol	115.87
morpholine-4-carbaldehyde	176.28
sulfolane	125.21
2,2,4-trimethylpentane	2.85
2-methyltetrahydrofuran	76.18
n-hexyl acetate	47.86
isooctane	2.87
2-(2-butoxyethoxy)ethanol	114.76
sec-butyl acetate	33.14
tert-butyl acetate	55.12
decalin	3.64
glycerin	112.99
diglyme	162.1
acrylic acid	46.81
isopropyl myristate	29.94
n-butyric acid	60.84
acetyl acetate	30.52
di(2-ethylhexyl) phthalate	33.47
ethyl propionate	45.27
nitromethane	89.01
1,2-diethoxyethane	60.82
benzonitrile	40.47
trioctyl phosphate	27.69
1-bromopropane	15.55
gamma-valerolactone	124.73
n-decanol	40.74
triethyl phosphate	26.92
4-methyl-2-pentanol	49.26
propionitrile	54.5
vinylene carbonate	42.9
1,1,2-trichlorotrifluoroethane	75.03
DMS	35.83
cumene	17.67
2-octanol	32.93
2-hexanone	64.32
octyl acetate	38.42
limonene	25.08
1,2-dimethoxyethane	179.35
ethyl orthosilicate	26.26
tributyl phosphate	28.58
diacetone alcohol	111.14
N,N-dimethylaniline	61.36
acrylonitrile	65.76
aniline	40.84
1,3-propanediol	132.17
bromobenzene	12.03
dibromomethane	12.26
1,1,2,2-tetrachloroethane	33.26
2-methyl-cyclohexyl acetate	37.97
tetrabutyl urea	57.09
diisobutyl methanol	32.88
2-phenylethanol	57.43
styrene	18.43
dioctyl adipate	41.04
dimethyl sulfate	66.74
ethyl butyrate	40.47
methyl lactate	73.08
butyl lactate	43.33
diethyl carbonate	27.23
propanediol butyl ether	90.81
triethyl orthoformate	32.17
p-tert-butyltoluene	19.76
methyl 4-tert-butylbenzoate	65.53
morpholine	106.04
tert-butylamine	60.92
n-dodecanol	33.49
dimethoxymethane	188.2
ethylene carbonate	33.43
cyrene	93.34
2-ethoxyethyl acetate	47.98
2-ethylhexyl acetate	30.13
1,2,4-trichlorobenzene	24.23
4-methylpyridine	59.17
dibutyl ether	32.49
2,6-dimethyl-4-heptanol	32.88
DEF	116.93
dimethyl isosorbide	114.81
tetrachloroethylene	18.61
eugenol	75.4
triacetin	50.15
span 80	72.67
1,4-butanediol	78.98
1,1-dichloroethane	18.43
2-methyl-1-pentanol	71.43
methyl formate	92.87
2-methyl-1-butanol	86.5
n-decane	4.8
butyronitrile	54.59
3,7-dimethyl-1-octanol	47.29
1-chlorooctane	16.55
1-chlorotetradecane	10.07
n-nonane	3.94
undecane	4.19
tert-butylcyclohexane	3.88
cyclooctane	1.49
cyclopentanol	65.59
tetrahydropyran	50.62
tert-amyl methyl ether	53.03
2,5,8-trioxanonane	149.53
1-hexene	11.2
2-isopropoxyethanol	106.51
2,2,2-trifluoroethanol	24.85
methyl butyrate	57.79

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