Molecular formula
C6H14S5

SMILES
C(CSCCC(S)S)C(S)S

Fragrance
Fruity	76.57%
Sulfurous	65.69%
Onion	59.84%
Green	59.79%
Alliaceous	55.18%
Garlic	51.91%
Meaty	43.81%
Tropical	42.3%
Savory	37.47%
Roasted	34.9%

 

Flavor
Sulfurous	62.71%
Onion	49.72%
Meaty	46.41%
Sulfury	43.1%
Garlic	40.92%
Alliaceous	33.15%
Roasted	31.38%
Metallic	26.14%
Cooked	25.9%
Cabbage	25.86%

 

Odor impact est.
High

XLogP3-AA
3.1

pKa est.
3.92 (weak acid)

Molecular weight
246.5 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
392°C

Flash point

• 156.85 ˚C est.

3-[3,3-Bis(sulfanyl)propylsulfanyl]propane-1,1-dithiol is a multi-thiol compound commonly used as a crosslinking and curing agent in polymer and coating formulations, where its high thiol functionality promotes network formation in epoxy- and polyurethane-based systems. It is often used as a component in adhesives and sealants to improve adhesion and film integrity. Its thiol groups enable metal chelation/complexation, making it useful in metal processing, surface modification, and related applications. The molecule can also serve as an intermediate or coupling/functionalization agent in chemical synthesis to prepare functionalized polymers or materials. Applications depend on formulation goals, processing conditions, and regulatory constraints.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	45.39
methanol	32.77
isopropanol	50.02
water	0.15
ethyl acetate	104.88
n-propanol	50.65
acetone	177.81
n-butanol	60.38
acetonitrile	41.67
DMF	214.01
toluene	122.98
isobutanol	44.6
1,4-dioxane	272.72
methyl acetate	89.71
THF	706.12
2-butanone	140.24
n-pentanol	62.13
sec-butanol	56.84
n-hexane	19.44
ethylene glycol	12.79
NMP	266.38
cyclohexane	66.57
DMSO	296.99
n-butyl acetate	158.83
n-octanol	86.85
chloroform	377.72
n-propyl acetate	113.31
acetic acid	73.41
dichloromethane	257.95
cyclohexanone	338.66
propylene glycol	31.02
isopropyl acetate	91.98
DMAc	226.06
2-ethoxyethanol	101.15
isopentanol	56.53
n-heptane	53.86
ethyl formate	64.97
1,2-dichloroethane	162.09
n-hexanol	96.11
2-methoxyethanol	123.79
isobutyl acetate	100.85
tetrachloromethane	65.5
n-pentyl acetate	122.05
transcutol	325.19
n-heptanol	73.73
ethylbenzene	56.72
MIBK	106.85
2-propoxyethanol	149.82
tert-butanol	87.9
MTBE	100.99
2-butoxyethanol	120.55
propionic acid	55.11
o-xylene	80.86
formic acid	15.13
diethyl ether	94.1
m-xylene	85.86
p-xylene	83.83
chlorobenzene	141.59
dimethyl carbonate	49.95
n-octane	22.95
formamide	23.93
cyclopentanone	445.3
2-pentanone	141.07
anisole	125.73
cyclopentyl methyl ether	272.42
gamma-butyrolactone	318.23
1-methoxy-2-propanol	123.76
pyridine	218.74
3-pentanone	106.93
furfural	271.63
n-dodecane	17.17
diethylene glycol	94.93
diisopropyl ether	48.68
tert-amyl alcohol	77.8
acetylacetone	181.55
n-hexadecane	19.58
acetophenone	142.32
methyl propionate	89.21
isopentyl acetate	140.69
trichloroethylene	352.7
n-nonanol	84.35
cyclohexanol	129.0
benzyl alcohol	97.24
2-ethylhexanol	90.98
isooctanol	66.03
dipropyl ether	156.2
1,2-dichlorobenzene	128.64
ethyl lactate	61.42
propylene carbonate	175.44
n-methylformamide	54.5
2-pentanol	55.78
n-pentane	20.52
1-propoxy-2-propanol	162.35
1-methoxy-2-propyl acetate	158.54
2-(2-methoxypropoxy) propanol	136.54
mesitylene	58.65
ε-caprolactone	236.2
p-cymene	67.5
epichlorohydrin	295.55
1,1,1-trichloroethane	187.77
2-aminoethanol	25.82
morpholine-4-carbaldehyde	272.44
sulfolane	429.05
2,2,4-trimethylpentane	15.12
2-methyltetrahydrofuran	329.49
n-hexyl acetate	139.97
isooctane	12.06
2-(2-butoxyethoxy)ethanol	172.91
sec-butyl acetate	89.98
tert-butyl acetate	128.61
decalin	27.4
glycerin	47.45
diglyme	300.6
acrylic acid	49.51
isopropyl myristate	81.75
n-butyric acid	97.83
acetyl acetate	88.87
di(2-ethylhexyl) phthalate	72.62
ethyl propionate	81.5
nitromethane	109.53
1,2-diethoxyethane	189.34
benzonitrile	115.4
trioctyl phosphate	59.17
1-bromopropane	117.86
gamma-valerolactone	377.98
n-decanol	66.41
triethyl phosphate	76.32
4-methyl-2-pentanol	41.67
propionitrile	48.82
vinylene carbonate	143.82
1,1,2-trichlorotrifluoroethane	229.97
DMS	86.46
cumene	46.53
2-octanol	64.79
2-hexanone	136.2
octyl acetate	92.48
limonene	110.81
1,2-dimethoxyethane	226.97
ethyl orthosilicate	82.56
tributyl phosphate	66.5
diacetone alcohol	139.26
N,N-dimethylaniline	101.76
acrylonitrile	55.06
aniline	114.65
1,3-propanediol	44.59
bromobenzene	156.29
dibromomethane	195.44
1,1,2,2-tetrachloroethane	324.73
2-methyl-cyclohexyl acetate	137.01
tetrabutyl urea	100.58
diisobutyl methanol	69.84
2-phenylethanol	112.83
styrene	75.24
dioctyl adipate	115.82
dimethyl sulfate	97.05
ethyl butyrate	135.52
methyl lactate	60.64
butyl lactate	98.31
diethyl carbonate	81.81
propanediol butyl ether	122.47
triethyl orthoformate	124.4
p-tert-butyltoluene	70.41
methyl 4-tert-butylbenzoate	141.31
morpholine	260.4
tert-butylamine	57.75
n-dodecanol	56.68
dimethoxymethane	151.75
ethylene carbonate	121.84
cyrene	169.04
2-ethoxyethyl acetate	137.65
2-ethylhexyl acetate	125.83
1,2,4-trichlorobenzene	182.95
4-methylpyridine	206.73
dibutyl ether	132.95
2,6-dimethyl-4-heptanol	69.84
DEF	138.09
dimethyl isosorbide	274.05
tetrachloroethylene	193.62
eugenol	126.54
triacetin	140.84
span 80	150.7
1,4-butanediol	27.56
1,1-dichloroethane	164.32
2-methyl-1-pentanol	58.13
methyl formate	54.17
2-methyl-1-butanol	52.04
n-decane	30.23
butyronitrile	69.01
3,7-dimethyl-1-octanol	84.16
1-chlorooctane	82.85
1-chlorotetradecane	36.85
n-nonane	29.63
undecane	21.64
tert-butylcyclohexane	24.45
cyclooctane	29.56
cyclopentanol	147.98
tetrahydropyran	299.88
tert-amyl methyl ether	98.3
2,5,8-trioxanonane	239.71
1-hexene	54.64
2-isopropoxyethanol	94.39
2,2,2-trifluoroethanol	34.28
methyl butyrate	117.2

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