Molecular formula
C16H10ClN3O3S

SMILES
C1=CC(=CC(=C1)Cl)N2C(=O)C(=CC3=CC=C(C=C3)[N+](=O)[O-])NC2=S

Fragrance
Odorless	51.16%
Fruity	32.33%
Bitter	27.91%
Grape	26.98%
Cooked	23.1%
Sweet	20.95%
Burnt	20.83%
Honey	18.7%
Savory	18.03%
Spicy	17.96%

 

Flavor
Bitter	87.93%
Odorless	35.25%
Nitrile	20.6%
Very strong	18.89%
Sweet-like	18.43%
Bread crust	18.42%
Indole	18.41%
Cedarleaf	18.38%
Orange flower	18.01%
Taco	17.79%

 

Odor impact est.
Odorless

XLogP3-AA
3.9

pKa est.
8.23 (weak base)

Molecular weight
359.8 g/mol

Flash point

• 226.75 ˚C est.

The chemical 3-(3-chlorophenyl)-5-[(4-nitrophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one (CAS number: ) can function as an organic synthesis intermediate and a versatile building block for libraries of heterocyclic compounds in medicinal chemistry research; it may be evaluated for development of pharmaceutical leads and, potentially, agrochemical candidates; as an aryl-substituted imidazolidinone derivative, it provides a scaffold for materials science applications, including functionalized polymers and coatings, and can serve as a reactive intermediate in condensation or cross-coupling workflows during laboratory synthesis.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	0.69
methanol	0.78
isopropanol	0.47
water	0.0
ethyl acetate	4.81
n-propanol	0.84
acetone	7.01
n-butanol	0.71
acetonitrile	3.13
DMF	43.24
toluene	1.32
isobutanol	0.54
1,4-dioxane	9.11
methyl acetate	6.98
THF	23.14
2-butanone	11.96
n-pentanol	1.14
sec-butanol	0.79
n-hexane	0.01
ethylene glycol	0.83
NMP	33.56
cyclohexane	0.01
DMSO	5.35
n-butyl acetate	5.36
n-octanol	0.85
chloroform	4.5
n-propyl acetate	5.83
acetic acid	3.82
dichloromethane	4.63
cyclohexanone	16.63
propylene glycol	1.47
isopropyl acetate	3.62
DMAc	81.3
2-ethoxyethanol	8.08
isopentanol	0.82
n-heptane	0.02
ethyl formate	3.75
1,2-dichloroethane	2.76
n-hexanol	0.96
2-methoxyethanol	11.46
isobutyl acetate	3.39
tetrachloromethane	0.11
n-pentyl acetate	4.84
transcutol	31.69
n-heptanol	1.15
ethylbenzene	0.77
MIBK	3.74
2-propoxyethanol	11.37
tert-butanol	0.67
MTBE	1.3
2-butoxyethanol	8.06
propionic acid	2.88
o-xylene	0.92
formic acid	2.34
diethyl ether	0.86
m-xylene	0.74
p-xylene	1.22
chlorobenzene	2.29
dimethyl carbonate	7.98
n-octane	0.02
formamide	4.59
cyclopentanone	23.51
2-pentanone	5.94
anisole	5.52
cyclopentyl methyl ether	3.2
gamma-butyrolactone	22.14
1-methoxy-2-propanol	9.25
pyridine	13.9
3-pentanone	5.36
furfural	24.58
n-dodecane	0.05
diethylene glycol	9.31
diisopropyl ether	0.27
tert-amyl alcohol	0.99
acetylacetone	13.78
n-hexadecane	0.06
acetophenone	9.21
methyl propionate	7.21
isopentyl acetate	5.03
trichloroethylene	13.37
n-nonanol	1.21
cyclohexanol	1.09
benzyl alcohol	5.82
2-ethylhexanol	1.02
isooctanol	1.15
dipropyl ether	1.61
1,2-dichlorobenzene	2.53
ethyl lactate	6.22
propylene carbonate	9.81
n-methylformamide	9.04
2-pentanol	0.47
n-pentane	0.01
1-propoxy-2-propanol	8.53
1-methoxy-2-propyl acetate	13.51
2-(2-methoxypropoxy) propanol	14.08
mesitylene	0.4
ε-caprolactone	14.32
p-cymene	0.88
epichlorohydrin	21.96
1,1,1-trichloroethane	1.54
2-aminoethanol	1.37
morpholine-4-carbaldehyde	42.99
sulfolane	23.25
2,2,4-trimethylpentane	0.02
2-methyltetrahydrofuran	5.77
n-hexyl acetate	4.45
isooctane	0.01
2-(2-butoxyethoxy)ethanol	14.06
sec-butyl acetate	3.82
tert-butyl acetate	4.35
decalin	0.03
glycerin	4.79
diglyme	27.52
acrylic acid	4.3
isopropyl myristate	2.82
n-butyric acid	3.18
acetyl acetate	4.35
di(2-ethylhexyl) phthalate	4.71
ethyl propionate	5.29
nitromethane	16.74
1,2-diethoxyethane	8.03
benzonitrile	7.14
trioctyl phosphate	2.39
1-bromopropane	0.67
gamma-valerolactone	45.07
n-decanol	1.07
triethyl phosphate	3.5
4-methyl-2-pentanol	0.48
propionitrile	3.33
vinylene carbonate	10.58
1,1,2-trichlorotrifluoroethane	22.07
DMS	9.54
cumene	0.56
2-octanol	0.78
2-hexanone	7.1
octyl acetate	3.54
limonene	1.06
1,2-dimethoxyethane	17.97
ethyl orthosilicate	2.97
tributyl phosphate	3.15
diacetone alcohol	7.93
N,N-dimethylaniline	3.95
acrylonitrile	7.86
aniline	3.23
1,3-propanediol	2.16
bromobenzene	1.92
dibromomethane	1.3
1,1,2,2-tetrachloroethane	8.45
2-methyl-cyclohexyl acetate	5.48
tetrabutyl urea	7.22
diisobutyl methanol	0.81
2-phenylethanol	5.77
styrene	1.15
dioctyl adipate	6.22
dimethyl sulfate	13.0
ethyl butyrate	5.18
methyl lactate	9.75
butyl lactate	7.38
diethyl carbonate	3.88
propanediol butyl ether	7.06
triethyl orthoformate	5.03
p-tert-butyltoluene	0.84
methyl 4-tert-butylbenzoate	10.43
morpholine	11.23
tert-butylamine	0.25
n-dodecanol	0.88
dimethoxymethane	15.03
ethylene carbonate	7.07
cyrene	19.11
2-ethoxyethyl acetate	11.6
2-ethylhexyl acetate	4.0
1,2,4-trichlorobenzene	4.78
4-methylpyridine	10.61
dibutyl ether	1.85
2,6-dimethyl-4-heptanol	0.81
DEF	12.11
dimethyl isosorbide	24.38
tetrachloroethylene	3.31
eugenol	13.57
triacetin	11.78
span 80	9.04
1,4-butanediol	1.36
1,1-dichloroethane	1.81
2-methyl-1-pentanol	1.36
methyl formate	8.04
2-methyl-1-butanol	0.84
n-decane	0.06
butyronitrile	2.47
3,7-dimethyl-1-octanol	1.27
1-chlorooctane	0.46
1-chlorotetradecane	0.31
n-nonane	0.04
undecane	0.05
tert-butylcyclohexane	0.03
cyclooctane	0.01
cyclopentanol	1.59
tetrahydropyran	3.57
tert-amyl methyl ether	1.66
2,5,8-trioxanonane	22.4
1-hexene	0.11
2-isopropoxyethanol	5.47
2,2,2-trifluoroethanol	2.09
methyl butyrate	7.4

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