Molecular formula
C6H8ClN5O2S

SMILES
CN=C(NCC1=CN=C(S1)Cl)N[N+](=O)[O-]

Fragrance
Odorless	63.36%
Meaty	46.04%
Savory	39.74%
Roasted	32.71%
Cooked	31.06%
Nutty	20.93%
Beefy	20.2%
Popcorn	19.11%
Fishy	18.82%
Cooling	18.0%

 

Flavor
Bitter	65.95%
Odorless	49.21%
Bland	28.29%
Roasted	25.45%
Mild	24.44%
Cooked	21.15%
Sweet-like	20.09%
Nitrile	19.97%
Scallion	19.58%
Yeast	19.54%

 

Odor impact est.
Medium

XLogP3-AA
1.2

pKa est.
8.35 (weak base)

Molecular weight
249.68 g/mol

Flash point

• 154.9 ˚C est.

• 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-3-nitroguanidine
• (E)-2-((2-Chlorothiazol-5-yl)methyl)-1-methyl-3-nitroguanidine
• AKOS015895786
• AKOS030241771
• AS-10056
• DB-017464
• (E)-1-(2-Chloro-5-thiazolylmethyl)-3-methyl-2-nitroguanidine
• (E)-2-((2-Chlorothiazol-5-yl)methyl)-1-methyl-3-nitroguanidine; Guanidine, N-[(2-chloro-5-thiazolyl)methyl]-N'-methyl-N''-nitro-; N-[(2-Chloro-5-thiazolyl)methyl]-N'-methyl-N''-nitroguanidine; CGA 322704

Regarding the compound (E)-1-(2-Chloro-5-thiazolylmethyl)-3-methyl-2-nitroguanidine, its practical applications mainly revolve around its role as a versatile building block in organic synthesis. It is commonly used as an intermediate in the preparation of heterocyclic compounds, particularly those bearing a thiazole motif, and serves as a precursor in the development of pharmaceutical leads and agrochemical active ingredients. In addition, it may function as a precursor for monomers or derivatives in polymer and materials chemistry, and as a building block in coatings/inks formulations or in library-generation for medicinal and agrochemical research. Its use is typically problem- and formulation-dependent, and subject to local regulations and limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	4.05
methanol	7.86
isopropanol	2.54
water	0.42
ethyl acetate	5.97
n-propanol	2.42
acetone	50.08
n-butanol	1.92
acetonitrile	13.17
DMF	636.62
toluene	1.22
isobutanol	1.97
1,4-dioxane	15.66
methyl acetate	16.27
THF	53.06
2-butanone	32.73
n-pentanol	2.04
sec-butanol	2.02
n-hexane	0.04
ethylene glycol	6.55
NMP	422.91
cyclohexane	0.05
DMSO	409.85
n-butyl acetate	6.43
n-octanol	0.92
chloroform	13.26
n-propyl acetate	7.65
acetic acid	18.67
dichloromethane	18.49
cyclohexanone	28.63
propylene glycol	6.83
isopropyl acetate	4.04
DMAc	579.4
2-ethoxyethanol	20.72
isopentanol	2.1
n-heptane	0.06
ethyl formate	14.35
1,2-dichloroethane	9.92
n-hexanol	1.62
2-methoxyethanol	51.12
isobutyl acetate	4.38
tetrachloromethane	0.89
n-pentyl acetate	4.01
transcutol	30.0
n-heptanol	1.22
ethylbenzene	0.78
MIBK	6.28
2-propoxyethanol	19.85
tert-butanol	3.43
MTBE	2.21
2-butoxyethanol	10.66
propionic acid	6.91
o-xylene	1.24
formic acid	31.99
diethyl ether	1.47
m-xylene	1.03
p-xylene	1.77
chlorobenzene	2.81
dimethyl carbonate	17.67
n-octane	0.03
formamide	67.52
cyclopentanone	70.91
2-pentanone	12.83
anisole	6.69
cyclopentyl methyl ether	5.54
gamma-butyrolactone	71.19
1-methoxy-2-propanol	29.52
pyridine	23.67
3-pentanone	10.04
furfural	96.84
n-dodecane	0.04
diethylene glycol	25.51
diisopropyl ether	0.38
tert-amyl alcohol	3.11
acetylacetone	26.49
n-hexadecane	0.05
acetophenone	16.13
methyl propionate	13.49
isopentyl acetate	6.19
trichloroethylene	33.12
n-nonanol	1.02
cyclohexanol	1.78
benzyl alcohol	9.2
2-ethylhexanol	1.23
isooctanol	1.09
dipropyl ether	1.68
1,2-dichlorobenzene	3.89
ethyl lactate	11.42
propylene carbonate	27.91
n-methylformamide	90.99
2-pentanol	0.98
n-pentane	0.03
1-propoxy-2-propanol	11.79
1-methoxy-2-propyl acetate	13.37
2-(2-methoxypropoxy) propanol	20.01
mesitylene	0.67
ε-caprolactone	23.64
p-cymene	0.93
epichlorohydrin	66.4
1,1,1-trichloroethane	5.29
2-aminoethanol	8.45
morpholine-4-carbaldehyde	186.03
sulfolane	165.63
2,2,4-trimethylpentane	0.04
2-methyltetrahydrofuran	12.34
n-hexyl acetate	3.67
isooctane	0.03
2-(2-butoxyethoxy)ethanol	16.47
sec-butyl acetate	3.91
tert-butyl acetate	5.63
decalin	0.06
glycerin	21.96
diglyme	41.32
acrylic acid	13.44
isopropyl myristate	1.72
n-butyric acid	7.13
acetyl acetate	5.06
di(2-ethylhexyl) phthalate	5.29
ethyl propionate	6.56
nitromethane	94.07
1,2-diethoxyethane	5.76
benzonitrile	10.87
trioctyl phosphate	2.74
1-bromopropane	1.97
gamma-valerolactone	124.38
n-decanol	0.82
triethyl phosphate	5.48
4-methyl-2-pentanol	0.88
propionitrile	6.48
vinylene carbonate	26.32
1,1,2-trichlorotrifluoroethane	81.56
DMS	9.77
cumene	0.65
2-octanol	0.74
2-hexanone	11.61
octyl acetate	2.62
limonene	1.16
1,2-dimethoxyethane	55.13
ethyl orthosilicate	4.01
tributyl phosphate	3.89
diacetone alcohol	17.57
N,N-dimethylaniline	6.7
acrylonitrile	17.85
aniline	4.59
1,3-propanediol	9.05
bromobenzene	2.28
dibromomethane	6.46
1,1,2,2-tetrachloroethane	22.01
2-methyl-cyclohexyl acetate	6.49
tetrabutyl urea	8.62
diisobutyl methanol	0.83
2-phenylethanol	6.91
styrene	1.15
dioctyl adipate	5.24
dimethyl sulfate	69.92
ethyl butyrate	6.08
methyl lactate	23.97
butyl lactate	7.58
diethyl carbonate	4.91
propanediol butyl ether	11.84
triethyl orthoformate	4.97
p-tert-butyltoluene	0.89
methyl 4-tert-butylbenzoate	12.53
morpholine	28.64
tert-butylamine	0.97
n-dodecanol	0.63
dimethoxymethane	62.93
ethylene carbonate	15.33
cyrene	39.55
2-ethoxyethyl acetate	8.76
2-ethylhexyl acetate	4.46
1,2,4-trichlorobenzene	7.83
4-methylpyridine	23.24
dibutyl ether	1.09
2,6-dimethyl-4-heptanol	0.83
DEF	38.09
dimethyl isosorbide	37.82
tetrachloroethylene	9.19
eugenol	16.2
triacetin	10.13
span 80	10.2
1,4-butanediol	4.98
1,1-dichloroethane	5.75
2-methyl-1-pentanol	2.2
methyl formate	71.78
2-methyl-1-butanol	1.91
n-decane	0.05
butyronitrile	5.24
3,7-dimethyl-1-octanol	1.17
1-chlorooctane	0.37
1-chlorotetradecane	0.2
n-nonane	0.04
undecane	0.05
tert-butylcyclohexane	0.05
cyclooctane	0.02
cyclopentanol	4.6
tetrahydropyran	4.52
tert-amyl methyl ether	2.29
2,5,8-trioxanonane	32.31
1-hexene	0.29
2-isopropoxyethanol	11.23
2,2,2-trifluoroethanol	18.01
methyl butyrate	13.14

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