Molecular formula
C2H6S3

SMILES
CC(S)SS

Fragrance
Sulfurous	83.37%
Onion	71.62%
Meaty	67.76%
Roasted	62.71%
Garlic	60.93%
Savory	53.94%
Alliaceous	51.87%
Cooked	45.77%
Burnt	35.22%
Beefy	35.17%

 

Flavor
Sulfurous	63.69%
Onion	63.52%
Meaty	50.19%
Garlic	50.05%
Sulfury	46.35%
Alliaceous	36.11%
Cabbage	32.25%
Roasted	29.59%
Sulfur	29.26%
Cooked	29.0%

 

Odor impact est.
High

XLogP3-AA
1.8

pKa est.
8.01 (weak base)

Molecular weight
126.3 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Fast

Boiling point est.
181°C

Flash point

• 49.05 ˚C est.

• SCHEMBL22694105

Chemical name: 1-(Disulfanyl)ethanethiol. CAS number: This thiol-bearing compound is primarily used as an odorant and fragrance intermediate and as a building block for sulfur-containing materials. Typical applications include: a fragrance ingredient and odorant in perfumery and cosmetics; a flavor/aroma ingredient in food and flavor formulations; a crosslinker or reactive component in polymer systems such as thiol-ene, epoxy, and UV-curable coatings and adhesives; an additive or precursor for UV-curable inks and coatings; an intermediate for the synthesis of thioethers and disulfides in industrial manufacturing; and an odorant additive in household cleaning products.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	84.89
methanol	115.67
isopropanol	58.96
water	5.94
ethyl acetate	85.23
n-propanol	73.21
acetone	120.24
n-butanol	73.19
acetonitrile	76.75
DMF	197.42
toluene	41.63
isobutanol	45.18
1,4-dioxane	182.58
methyl acetate	100.2
THF	197.06
2-butanone	106.29
n-pentanol	58.32
sec-butanol	61.53
n-hexane	3.49
ethylene glycol	43.44
NMP	163.64
cyclohexane	8.08
DMSO	154.53
n-butyl acetate	83.97
n-octanol	53.13
chloroform	148.94
n-propyl acetate	67.73
acetic acid	114.29
dichloromethane	92.95
cyclohexanone	116.17
propylene glycol	50.4
isopropyl acetate	60.83
DMAc	203.97
2-ethoxyethanol	128.58
isopentanol	57.86
n-heptane	11.18
ethyl formate	66.28
1,2-dichloroethane	56.14
n-hexanol	76.62
2-methoxyethanol	183.23
isobutyl acetate	45.9
tetrachloromethane	42.43
n-pentyl acetate	70.07
transcutol	317.61
n-heptanol	62.0
ethylbenzene	21.26
MIBK	62.5
2-propoxyethanol	148.66
tert-butanol	76.86
MTBE	64.29
2-butoxyethanol	120.26
propionic acid	76.32
o-xylene	36.55
formic acid	65.41
diethyl ether	65.06
m-xylene	32.18
p-xylene	29.8
chlorobenzene	60.91
dimethyl carbonate	48.97
n-octane	5.38
formamide	100.34
cyclopentanone	147.65
2-pentanone	89.03
anisole	78.82
cyclopentyl methyl ether	84.99
gamma-butyrolactone	144.44
1-methoxy-2-propanol	135.06
pyridine	131.95
3-pentanone	71.32
furfural	186.62
n-dodecane	5.03
diethylene glycol	128.74
diisopropyl ether	25.02
tert-amyl alcohol	77.2
acetylacetone	123.32
n-hexadecane	5.45
acetophenone	85.19
methyl propionate	73.54
isopentyl acetate	69.42
trichloroethylene	151.22
n-nonanol	50.73
cyclohexanol	58.67
benzyl alcohol	70.56
2-ethylhexanol	56.44
isooctanol	48.37
dipropyl ether	56.51
1,2-dichlorobenzene	61.23
ethyl lactate	48.12
propylene carbonate	81.24
n-methylformamide	95.89
2-pentanol	54.22
n-pentane	6.04
1-propoxy-2-propanol	119.6
1-methoxy-2-propyl acetate	97.3
2-(2-methoxypropoxy) propanol	105.13
mesitylene	21.55
ε-caprolactone	111.41
p-cymene	30.38
epichlorohydrin	137.33
1,1,1-trichloroethane	79.08
2-aminoethanol	68.77
morpholine-4-carbaldehyde	207.66
sulfolane	160.82
2,2,4-trimethylpentane	5.4
2-methyltetrahydrofuran	119.43
n-hexyl acetate	73.68
isooctane	4.22
2-(2-butoxyethoxy)ethanol	143.95
sec-butyl acetate	49.59
tert-butyl acetate	77.76
decalin	5.98
glycerin	81.14
diglyme	231.22
acrylic acid	77.78
isopropyl myristate	37.4
n-butyric acid	90.71
acetyl acetate	72.46
di(2-ethylhexyl) phthalate	42.49
ethyl propionate	53.4
nitromethane	169.66
1,2-diethoxyethane	110.28
benzonitrile	72.82
trioctyl phosphate	29.9
1-bromopropane	31.68
gamma-valerolactone	195.3
n-decanol	37.89
triethyl phosphate	41.06
4-methyl-2-pentanol	37.58
propionitrile	58.78
vinylene carbonate	85.0
1,1,2-trichlorotrifluoroethane	164.43
DMS	59.13
cumene	19.91
2-octanol	41.27
2-hexanone	75.33
octyl acetate	47.93
limonene	44.86
1,2-dimethoxyethane	164.56
ethyl orthosilicate	42.83
tributyl phosphate	32.5
diacetone alcohol	111.31
N,N-dimethylaniline	62.74
acrylonitrile	77.1
aniline	77.26
1,3-propanediol	91.91
bromobenzene	48.81
dibromomethane	55.08
1,1,2,2-tetrachloroethane	125.19
2-methyl-cyclohexyl acetate	64.45
tetrabutyl urea	45.33
diisobutyl methanol	35.48
2-phenylethanol	85.62
styrene	28.65
dioctyl adipate	54.31
dimethyl sulfate	78.18
ethyl butyrate	69.99
methyl lactate	61.76
butyl lactate	60.98
diethyl carbonate	44.74
propanediol butyl ether	98.13
triethyl orthoformate	60.11
p-tert-butyltoluene	31.97
methyl 4-tert-butylbenzoate	87.68
morpholine	172.38
tert-butylamine	43.04
n-dodecanol	30.1
dimethoxymethane	120.22
ethylene carbonate	65.68
cyrene	109.23
2-ethoxyethyl acetate	99.11
2-ethylhexyl acetate	59.87
1,2,4-trichlorobenzene	90.61
4-methylpyridine	112.64
dibutyl ether	46.99
2,6-dimethyl-4-heptanol	35.48
DEF	104.34
dimethyl isosorbide	170.01
tetrachloroethylene	100.92
eugenol	98.32
triacetin	94.2
span 80	98.12
1,4-butanediol	42.25
1,1-dichloroethane	62.68
2-methyl-1-pentanol	51.87
methyl formate	76.84
2-methyl-1-butanol	53.92
n-decane	7.86
butyronitrile	57.57
3,7-dimethyl-1-octanol	46.94
1-chlorooctane	26.68
1-chlorotetradecane	12.8
n-nonane	7.0
undecane	6.04
tert-butylcyclohexane	6.38
cyclooctane	4.26
cyclopentanol	66.59
tetrahydropyran	107.09
tert-amyl methyl ether	60.06
2,5,8-trioxanonane	182.02
1-hexene	15.05
2-isopropoxyethanol	95.46
2,2,2-trifluoroethanol	66.07
methyl butyrate	70.27

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