Molecular formula
C17H21ClN2O2S

SMILES
C[C@H]1C(SC(=O)N1C(=O)NC2CCCCC2)C3=CC=C(C=C3)Cl

Fragrance
Odorless	43.79%
Meaty	36.16%
Roasted	32.23%
Savory	28.39%
Cooked	28.17%
Nutty	25.15%
Cooling	21.47%
Popcorn	20.82%
Animal	18.15%
Bitter	16.81%

 

Flavor
Bitter	70.56%
Odorless	28.73%
Nitrile	20.68%
Cedarleaf	20.1%
Roasted	20.05%
Alkaline	19.82%
Sweet-like	19.73%
Very strong	19.69%
Indole	19.44%
Scallion	19.35%

 

Odor impact est.
Odorless

XLogP3-AA
4.5

pKa est.
6.67 (neutral)

Molecular weight
352.9 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
471°C

Flash point

• 161.42 ˚C est.

• Hexythiazox
• SCHEMBL21175552

The compound (4S)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide is primarily used as an advanced intermediate in pharmaceutical research, providing a versatile thiazolidinone scaffold for the synthesis of potential drug candidates; in medicinal chemistry it is used to build diverse libraries and explore structure-activity relationships (SAR); in agrochemical discovery it is evaluated as a lead or intermediate for crop-protection agents; in industrial manufacturing it serves as a building block in scalable synthetic sequences and formulation development, enabling exploration of downstream derivatives and potential applications. Subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	14.43
methanol	12.71
isopropanol	9.48
water	0.02
ethyl acetate	39.94
n-propanol	16.38
acetone	77.05
n-butanol	18.79
acetonitrile	12.93
DMF	318.23
toluene	25.78
isobutanol	12.07
1,4-dioxane	78.08
methyl acetate	41.53
THF	247.07
2-butanone	85.53
n-pentanol	14.88
sec-butanol	13.37
n-hexane	0.11
ethylene glycol	3.37
NMP	400.79
cyclohexane	0.42
DMSO	144.15
n-butyl acetate	36.63
n-octanol	3.18
chloroform	299.49
n-propyl acetate	33.14
acetic acid	48.91
dichloromethane	240.4
cyclohexanone	185.32
propylene glycol	11.1
isopropyl acetate	28.41
DMAc	413.31
2-ethoxyethanol	44.32
isopentanol	18.32
n-heptane	0.15
ethyl formate	30.51
1,2-dichloroethane	126.53
n-hexanol	11.92
2-methoxyethanol	74.35
isobutyl acetate	22.36
tetrachloromethane	9.1
n-pentyl acetate	26.67
transcutol	111.26
n-heptanol	8.16
ethylbenzene	7.78
MIBK	33.8
2-propoxyethanol	59.8
tert-butanol	10.65
MTBE	9.19
2-butoxyethanol	38.94
propionic acid	34.61
o-xylene	11.67
formic acid	19.19
diethyl ether	7.38
m-xylene	13.32
p-xylene	13.03
chlorobenzene	71.41
dimethyl carbonate	40.16
n-octane	0.09
formamide	37.42
cyclopentanone	279.23
2-pentanone	60.71
anisole	29.49
cyclopentyl methyl ether	43.4
gamma-butyrolactone	261.93
1-methoxy-2-propanol	65.66
pyridine	150.27
3-pentanone	41.96
furfural	224.03
n-dodecane	0.13
diethylene glycol	42.65
diisopropyl ether	2.08
tert-amyl alcohol	12.62
acetylacetone	96.02
n-hexadecane	0.16
acetophenone	54.55
methyl propionate	50.9
isopentyl acetate	35.9
trichloroethylene	428.62
n-nonanol	4.07
cyclohexanol	25.98
benzyl alcohol	47.52
2-ethylhexanol	8.24
isooctanol	7.59
dipropyl ether	5.64
1,2-dichlorobenzene	65.49
ethyl lactate	29.63
propylene carbonate	128.78
n-methylformamide	71.66
2-pentanol	8.87
n-pentane	0.13
1-propoxy-2-propanol	39.92
1-methoxy-2-propyl acetate	62.87
2-(2-methoxypropoxy) propanol	44.71
mesitylene	5.96
ε-caprolactone	145.52
p-cymene	6.4
epichlorohydrin	314.97
1,1,1-trichloroethane	73.73
2-aminoethanol	12.25
morpholine-4-carbaldehyde	244.04
sulfolane	327.52
2,2,4-trimethylpentane	0.28
2-methyltetrahydrofuran	90.68
n-hexyl acetate	21.88
isooctane	0.18
2-(2-butoxyethoxy)ethanol	49.97
sec-butyl acetate	22.69
tert-butyl acetate	30.77
decalin	0.44
glycerin	25.61
diglyme	97.2
acrylic acid	44.05
isopropyl myristate	9.77
n-butyric acid	53.43
acetyl acetate	36.48
di(2-ethylhexyl) phthalate	24.13
ethyl propionate	27.55
nitromethane	107.62
1,2-diethoxyethane	25.64
benzonitrile	58.05
trioctyl phosphate	12.42
1-bromopropane	23.21
gamma-valerolactone	370.75
n-decanol	3.19
triethyl phosphate	21.09
4-methyl-2-pentanol	7.09
propionitrile	18.66
vinylene carbonate	111.25
1,1,2-trichlorotrifluoroethane	196.24
DMS	43.46
cumene	5.1
2-octanol	4.2
2-hexanone	37.84
octyl acetate	14.49
limonene	7.8
1,2-dimethoxyethane	65.26
ethyl orthosilicate	17.28
tributyl phosphate	15.61
diacetone alcohol	52.52
N,N-dimethylaniline	19.95
acrylonitrile	36.43
aniline	54.21
1,3-propanediol	25.4
bromobenzene	69.05
dibromomethane	96.07
1,1,2,2-tetrachloroethane	272.23
2-methyl-cyclohexyl acetate	33.2
tetrabutyl urea	23.73
diisobutyl methanol	5.17
2-phenylethanol	42.15
styrene	12.26
dioctyl adipate	25.07
dimethyl sulfate	95.8
ethyl butyrate	28.03
methyl lactate	47.42
butyl lactate	32.63
diethyl carbonate	22.08
propanediol butyl ether	31.74
triethyl orthoformate	22.19
p-tert-butyltoluene	5.74
methyl 4-tert-butylbenzoate	45.85
morpholine	113.53
tert-butylamine	3.63
n-dodecanol	2.47
dimethoxymethane	90.98
ethylene carbonate	80.8
cyrene	85.68
2-ethoxyethyl acetate	53.4
2-ethylhexyl acetate	28.09
1,2,4-trichlorobenzene	99.51
4-methylpyridine	133.69
dibutyl ether	3.83
2,6-dimethyl-4-heptanol	5.17
DEF	85.99
dimethyl isosorbide	103.56
tetrachloroethylene	117.98
eugenol	54.33
triacetin	43.68
span 80	37.92
1,4-butanediol	11.03
1,1-dichloroethane	88.15
2-methyl-1-pentanol	17.61
methyl formate	49.51
2-methyl-1-butanol	18.28
n-decane	0.17
butyronitrile	22.75
3,7-dimethyl-1-octanol	5.37
1-chlorooctane	1.79
1-chlorotetradecane	0.96
n-nonane	0.11
undecane	0.14
tert-butylcyclohexane	0.34
cyclooctane	0.13
cyclopentanol	38.66
tetrahydropyran	51.19
tert-amyl methyl ether	10.18
2,5,8-trioxanonane	69.96
1-hexene	1.33
2-isopropoxyethanol	30.68
2,2,2-trifluoroethanol	29.89
methyl butyrate	42.28

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