Molecular formula
C8H10O2S

SMILES
COC(=S)CCC1=CC=CO1

Fragrance
Sulfurous	76.6%
Roasted	54.18%
Coffee	50.4%
Meaty	45.45%
Cheesy	43.58%
Savory	38.38%
Onion	35.44%
Alliaceous	35.15%
Cooked	34.92%
Garlic	32.66%

 

Flavor
Sweet	55.71%
Fruity	55.47%
Coffee	44.81%
Nutty	32.7%
Caramel	31.14%
Fatty	31.1%
Pineapple	30.65%
Oily	29.54%
Sulfury	29.5%
Roasted	29.39%

 

Odor impact est.
Low

XLogP3-AA
1.6

pKa est.
8.22 (weak base)

Molecular weight
170.23 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
259°C

Flash point

• 73.58 ˚C est.

• SCHEMBL18640589

O-methyl 3-(furan-2-yl)propanethioate is primarily used as a reactive intermediary in organic synthesis, serving as a building block for pharmaceutical and agrochemical compounds. The furan-2-yl substituent makes it a potential precursor in fragrance and flavor chemistry, where it can contribute to aroma profiles or be transformed into related odorants. In materials chemistry, it is employed as a thioester-based acylating reagent and a functional building block for specialty polymers, coatings, or adhesives. It may also appear in cosmetic or personal-care formulations as a fragrance-related intermediate. In research and development settings, it is evaluated as a synthetic intermediate for medicinal chemistry explorations and method development.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	96.43
methanol	157.31
isopropanol	73.94
water	2.28
ethyl acetate	217.35
n-propanol	74.58
acetone	221.0
n-butanol	65.19
acetonitrile	270.74
DMF	442.21
toluene	129.36
isobutanol	54.89
1,4-dioxane	793.76
methyl acetate	278.89
THF	410.12
2-butanone	196.29
n-pentanol	49.36
sec-butanol	62.7
n-hexane	2.5
ethylene glycol	57.57
NMP	326.45
cyclohexane	14.73
DMSO	523.65
n-butyl acetate	68.95
n-octanol	24.62
chloroform	551.03
n-propyl acetate	94.68
acetic acid	210.47
dichloromethane	586.13
cyclohexanone	216.09
propylene glycol	46.45
isopropyl acetate	106.18
DMAc	664.49
2-ethoxyethanol	233.11
isopentanol	62.69
n-heptane	4.67
ethyl formate	125.91
1,2-dichloroethane	309.6
n-hexanol	32.11
2-methoxyethanol	346.7
isobutyl acetate	58.02
tetrachloromethane	50.15
n-pentyl acetate	43.22
transcutol	675.73
n-heptanol	21.15
ethylbenzene	46.77
MIBK	73.91
2-propoxyethanol	133.88
tert-butanol	117.42
MTBE	128.88
2-butoxyethanol	77.46
propionic acid	96.21
o-xylene	80.51
formic acid	140.91
diethyl ether	133.13
m-xylene	60.04
p-xylene	73.17
chlorobenzene	167.16
dimethyl carbonate	125.57
n-octane	2.35
formamide	312.99
cyclopentanone	219.2
2-pentanone	111.82
anisole	222.09
cyclopentyl methyl ether	138.53
gamma-butyrolactone	277.43
1-methoxy-2-propanol	177.98
pyridine	462.4
3-pentanone	134.14
furfural	438.56
n-dodecane	3.23
diethylene glycol	158.24
diisopropyl ether	33.0
tert-amyl alcohol	86.47
acetylacetone	240.37
n-hexadecane	3.82
acetophenone	199.71
methyl propionate	164.5
isopentyl acetate	69.56
trichloroethylene	682.7
n-nonanol	26.89
cyclohexanol	79.95
benzyl alcohol	142.04
2-ethylhexanol	27.85
isooctanol	20.9
dipropyl ether	49.89
1,2-dichlorobenzene	160.27
ethyl lactate	53.41
propylene carbonate	143.55
n-methylformamide	195.73
2-pentanol	38.49
n-pentane	3.61
1-propoxy-2-propanol	81.46
1-methoxy-2-propyl acetate	133.71
2-(2-methoxypropoxy) propanol	143.18
mesitylene	34.67
ε-caprolactone	193.83
p-cymene	26.99
epichlorohydrin	473.33
1,1,1-trichloroethane	265.85
2-aminoethanol	82.61
morpholine-4-carbaldehyde	660.17
sulfolane	308.96
2,2,4-trimethylpentane	4.64
2-methyltetrahydrofuran	248.09
n-hexyl acetate	60.66
isooctane	2.79
2-(2-butoxyethoxy)ethanol	167.33
sec-butyl acetate	69.78
tert-butyl acetate	116.4
decalin	8.82
glycerin	111.54
diglyme	429.66
acrylic acid	114.69
isopropyl myristate	35.97
n-butyric acid	110.42
acetyl acetate	204.06
di(2-ethylhexyl) phthalate	40.94
ethyl propionate	98.44
nitromethane	559.39
1,2-diethoxyethane	202.17
benzonitrile	160.82
trioctyl phosphate	20.71
1-bromopropane	86.15
gamma-valerolactone	458.19
n-decanol	21.06
triethyl phosphate	60.11
4-methyl-2-pentanol	28.07
propionitrile	135.23
vinylene carbonate	170.89
1,1,2-trichlorotrifluoroethane	342.71
DMS	125.53
cumene	30.11
2-octanol	15.25
2-hexanone	80.35
octyl acetate	40.16
limonene	37.46
1,2-dimethoxyethane	462.92
ethyl orthosilicate	59.36
tributyl phosphate	33.18
diacetone alcohol	116.32
N,N-dimethylaniline	135.48
acrylonitrile	213.46
aniline	171.94
1,3-propanediol	118.76
bromobenzene	176.59
dibromomethane	247.3
1,1,2,2-tetrachloroethane	442.49
2-methyl-cyclohexyl acetate	72.82
tetrabutyl urea	51.66
diisobutyl methanol	22.07
2-phenylethanol	79.19
styrene	77.81
dioctyl adipate	68.21
dimethyl sulfate	231.02
ethyl butyrate	83.33
methyl lactate	87.96
butyl lactate	38.48
diethyl carbonate	74.63
propanediol butyl ether	68.87
triethyl orthoformate	76.22
p-tert-butyltoluene	25.95
methyl 4-tert-butylbenzoate	102.28
morpholine	619.15
tert-butylamine	58.81
n-dodecanol	17.66
dimethoxymethane	293.23
ethylene carbonate	134.08
cyrene	159.32
2-ethoxyethyl acetate	109.11
2-ethylhexyl acetate	58.09
1,2,4-trichlorobenzene	227.24
4-methylpyridine	337.71
dibutyl ether	51.64
2,6-dimethyl-4-heptanol	22.07
DEF	221.6
dimethyl isosorbide	247.19
tetrachloroethylene	272.62
eugenol	104.21
triacetin	138.01
span 80	80.96
1,4-butanediol	49.72
1,1-dichloroethane	243.18
2-methyl-1-pentanol	50.61
methyl formate	161.36
2-methyl-1-butanol	54.47
n-decane	4.52
butyronitrile	102.25
3,7-dimethyl-1-octanol	33.35
1-chlorooctane	20.62
1-chlorotetradecane	11.5
n-nonane	3.55
undecane	3.68
tert-butylcyclohexane	6.58
cyclooctane	4.84
cyclopentanol	78.63
tetrahydropyran	290.68
tert-amyl methyl ether	95.02
2,5,8-trioxanonane	342.65
1-hexene	13.99
2-isopropoxyethanol	135.04
2,2,2-trifluoroethanol	111.0
methyl butyrate	117.69

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