Molecular formula
C6H14O2S2

SMILES
CCCOS(=O)(=S)CCC

Fragrance
Fresh	50.59%
Onion	50.34%
Sulfurous	36.74%
Roasted	36.71%
Alliaceous	34.61%
Pungent	33.22%
Garlic	33.04%
Cooked	30.37%
Savory	29.75%
Odorless	26.49%

 

Flavor
Bitter	31.86%
Roasted	23.66%
Cooked	23.2%
Cabbage	21.62%
Sulfurous	21.06%
Acrid	20.93%
Sulfury	20.89%
Matches	20.48%
Taco	20.08%
Pungent	19.64%

 

Odor impact est.
Medium

XLogP3-AA
3.2

pKa est.
10.02 (weak base)

Molecular weight
182.3 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
259°C

Flash point

• 70.85 ˚C est.

• Propylpropanthiosulfonat
• SCHEMBL2547319

Propylpropanthiosulfonat is regarded as an organic synthesis intermediate, primarily used to introduce thio-/sulfonate groups into organosulfur compounds for fine chemicals production and industrial process chemistry. It can serve as a precursor for specialty monomers and sulfur/thiol functional groups in polymers, coatings, and adhesives, as well as a reagent for thiolation or sulfonation steps in material formulation. In laboratory research and development, it provides a flexible building block for sulfur-containing chemistry. Additionally, it may be considered for applications in electronic materials and related polymer/additive systems requiring sulfur functionality, subject to regulatory and formulation constraints.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	325.95
methanol	461.29
isopropanol	275.69
water	2.3
ethyl acetate	503.87
n-propanol	288.44
acetone	979.38
n-butanol	267.7
acetonitrile	728.58
DMF	1714.7
toluene	431.59
isobutanol	231.11
1,4-dioxane	913.1
methyl acetate	660.83
THF	956.23
2-butanone	781.51
n-pentanol	244.21
sec-butanol	301.71
n-hexane	42.63
ethylene glycol	123.04
NMP	1595.47
cyclohexane	161.29
DMSO	1394.57
n-butyl acetate	467.0
n-octanol	226.0
chloroform	1933.94
n-propyl acetate	402.74
acetic acid	632.35
dichloromethane	1582.18
cyclohexanone	1495.6
propylene glycol	152.73
isopropyl acetate	343.04
DMAc	1307.9
2-ethoxyethanol	393.66
isopentanol	231.16
n-heptane	49.85
ethyl formate	486.3
1,2-dichloroethane	1030.08
n-hexanol	269.53
2-methoxyethanol	610.19
isobutyl acetate	250.77
tetrachloromethane	284.79
n-pentyl acetate	362.68
transcutol	942.43
n-heptanol	155.39
ethylbenzene	243.42
MIBK	338.43
2-propoxyethanol	431.8
tert-butanol	357.68
MTBE	367.37
2-butoxyethanol	266.38
propionic acid	420.23
o-xylene	320.6
formic acid	198.15
diethyl ether	334.15
m-xylene	285.22
p-xylene	347.51
chlorobenzene	788.34
dimethyl carbonate	263.06
n-octane	31.62
formamide	322.18
cyclopentanone	1448.99
2-pentanone	539.68
anisole	507.02
cyclopentyl methyl ether	496.93
gamma-butyrolactone	1372.25
1-methoxy-2-propanol	424.06
pyridine	1075.49
3-pentanone	506.81
furfural	1575.8
n-dodecane	34.66
diethylene glycol	381.82
diisopropyl ether	131.14
tert-amyl alcohol	333.58
acetylacetone	818.94
n-hexadecane	40.25
acetophenone	675.08
methyl propionate	434.82
isopentyl acetate	404.98
trichloroethylene	2269.6
n-nonanol	196.98
cyclohexanol	481.13
benzyl alcohol	447.92
2-ethylhexanol	206.15
isooctanol	135.78
dipropyl ether	215.17
1,2-dichlorobenzene	809.05
ethyl lactate	225.48
propylene carbonate	777.53
n-methylformamide	668.95
2-pentanol	203.74
n-pentane	49.2
1-propoxy-2-propanol	333.61
1-methoxy-2-propyl acetate	443.4
2-(2-methoxypropoxy) propanol	352.23
mesitylene	223.67
ε-caprolactone	1020.93
p-cymene	184.86
epichlorohydrin	1167.47
1,1,1-trichloroethane	1044.4
2-aminoethanol	183.11
morpholine-4-carbaldehyde	1359.27
sulfolane	1794.83
2,2,4-trimethylpentane	38.71
2-methyltetrahydrofuran	742.03
n-hexyl acetate	514.95
isooctane	26.8
2-(2-butoxyethoxy)ethanol	422.35
sec-butyl acetate	283.04
tert-butyl acetate	405.06
decalin	76.75
glycerin	248.75
diglyme	791.49
acrylic acid	476.22
isopropyl myristate	220.47
n-butyric acid	488.04
acetyl acetate	458.58
di(2-ethylhexyl) phthalate	213.26
ethyl propionate	357.4
nitromethane	1441.4
1,2-diethoxyethane	411.14
benzonitrile	860.08
trioctyl phosphate	162.22
1-bromopropane	467.62
gamma-valerolactone	1678.77
n-decanol	149.01
triethyl phosphate	223.85
4-methyl-2-pentanol	130.88
propionitrile	533.38
vinylene carbonate	882.76
1,1,2-trichlorotrifluoroethane	889.33
DMS	452.41
cumene	161.15
2-octanol	161.18
2-hexanone	453.9
octyl acetate	270.87
limonene	289.43
1,2-dimethoxyethane	807.67
ethyl orthosilicate	201.86
tributyl phosphate	210.22
diacetone alcohol	403.5
N,N-dimethylaniline	355.76
acrylonitrile	793.95
aniline	438.49
1,3-propanediol	266.59
bromobenzene	877.84
dibromomethane	987.87
1,1,2,2-tetrachloroethane	1721.88
2-methyl-cyclohexyl acetate	362.23
tetrabutyl urea	301.27
diisobutyl methanol	146.41
2-phenylethanol	373.98
styrene	359.72
dioctyl adipate	320.27
dimethyl sulfate	530.22
ethyl butyrate	367.79
methyl lactate	285.84
butyl lactate	287.8
diethyl carbonate	275.34
propanediol butyl ether	335.71
triethyl orthoformate	266.01
p-tert-butyltoluene	182.83
methyl 4-tert-butylbenzoate	435.78
morpholine	877.91
tert-butylamine	222.4
n-dodecanol	123.98
dimethoxymethane	547.41
ethylene carbonate	663.33
cyrene	462.26
2-ethoxyethyl acetate	428.96
2-ethylhexyl acetate	352.09
1,2,4-trichlorobenzene	913.68
4-methylpyridine	1107.95
dibutyl ether	277.49
2,6-dimethyl-4-heptanol	146.41
DEF	700.99
dimethyl isosorbide	619.21
tetrachloroethylene	990.18
eugenol	412.63
triacetin	533.29
span 80	347.64
1,4-butanediol	164.75
1,1-dichloroethane	952.39
2-methyl-1-pentanol	225.4
methyl formate	619.67
2-methyl-1-butanol	228.6
n-decane	53.41
butyronitrile	521.9
3,7-dimethyl-1-octanol	223.25
1-chlorooctane	207.21
1-chlorotetradecane	98.21
n-nonane	52.1
undecane	41.26
tert-butylcyclohexane	58.94
cyclooctane	52.75
cyclopentanol	469.19
tetrahydropyran	784.27
tert-amyl methyl ether	300.35
2,5,8-trioxanonane	586.72
1-hexene	162.6
2-isopropoxyethanol	284.97
2,2,2-trifluoroethanol	258.21
methyl butyrate	524.24

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