thiosemicarbazide
methyl iodide
S-methyl isothiosemicarbazide hydroiodide
Conditions | Yield |
---|---|
In ethanol at 60℃; for 0.5h; | 98% |
In ethanol at 60℃; for 0.5h; Inert atmosphere; | 91% |
In ethanol for 2h; Heating; | 80% |
5-methoxyindole-3-carboxaldehyde
S-methyl isothiosemicarbazide hydroiodide
Conditions | Yield |
---|---|
With triethylamine In methanol at 25 - 30℃; for 2h; | 100% |
Conditions | Yield |
---|---|
In ethanol for 4h; Reflux; | 98.95% |
S-methyl isothiosemicarbazide hydroiodide
dimethylglyoxal
3-methylthio-5,6-dimethyl-1,2,4-triazine
Conditions | Yield |
---|---|
With sodium hydrogencarbonate In water at 20℃; for 16h; | 95% |
With sodium hydrogencarbonate In water at 20℃; for 16h; Inert atmosphere; | 95% |
86% |
S-methyl isothiosemicarbazide hydroiodide
methyl 3-(5-(3-(methylthio)-1,2,4-triazin-5-yl)furan-2-yl)benzoate
Conditions | Yield |
---|---|
With sodium hydrogencarbonate In ethanol; water for 2h; Reflux; regioselective reaction; | 95% |
S-methyl isothiosemicarbazide hydroiodide
4-chlorophenylglyoxal
5-(4-chlorophenyl)-3-(methylthio)-1,2,4-triazine
Conditions | Yield |
---|---|
93% |
S-methyl isothiosemicarbazide hydroiodide
3-(methylthio)-5-(5-(2-(trifluoromethyl)phenyl)furan-2-yl)-1,2,4-triazine
Conditions | Yield |
---|---|
With sodium hydrogencarbonate In ethanol; water for 2h; Reflux; regioselective reaction; | 91.5% |
Glyoxal
S-methyl isothiosemicarbazide hydroiodide
3-methylthio-1,2,4-triazine
Conditions | Yield |
---|---|
With sodium hydrogencarbonate In water for 0.166667h; Cooling with ice; | 90% |
89% | |
With sodium hydrogencarbonate In water at 0℃; for 5h; | 88% |
5-methoxyindole-3-carboxaldehyde
S-methyl isothiosemicarbazide hydroiodide
1-[(5-methoxy-1H-indole-3yl)methyleneamino]isothiourea hydroiodide
Conditions | Yield |
---|---|
With hydrogenchloride In water; ethyl acetate pH=1 - 2; | 90% |
S-methyl isothiosemicarbazide hydroiodide
3-(methylthio)-5-(3'-nitrobiphenyl-4-yl)-1,2,4-triazine
Conditions | Yield |
---|---|
With sodium hydrogencarbonate In ethanol; water for 2h; Reflux; regioselective reaction; | 87.3% |
1-Adamantanamine
S-methyl isothiosemicarbazide hydroiodide
1-(3-aminoguanidino)adamantane hydroiodide
Conditions | Yield |
---|---|
In ethanol for 4h; Reflux; | 85% |
S-methyl isothiosemicarbazide hydroiodide
11-Methylsulfanyl-8b,12b-dihydro-9,10,12-triaza-benzo[3,4]cyclobuta[1,2-l]phenanthrene
Conditions | Yield |
---|---|
84% |
phenylglyoxal hydrate
S-methyl isothiosemicarbazide hydroiodide
3-methylthio-5-phenyl-1,2,4-triazine
Conditions | Yield |
---|---|
With sodium hydrogencarbonate In ethanol; water for 2h; Reflux; regioselective reaction; | 82.6% |
81% |
S-methyl isothiosemicarbazide hydroiodide
Conditions | Yield |
---|---|
With sodium hydrogencarbonate In ethanol at 80℃; for 1h; | 80.9% |
S-methyl isothiosemicarbazide hydroiodide
4-(4-Nitro-phenyl)-2,4-dioxo-butyric acid methyl ester
Conditions | Yield |
---|---|
In ethanol Condensation; Cyclization; Heating; | 80% |
1,3-diaminoadamantane
S-methyl isothiosemicarbazide hydroiodide
Conditions | Yield |
---|---|
In ethanol for 4h; Reflux; | 80% |
S-methyl isothiosemicarbazide hydroiodide
Conditions | Yield |
---|---|
In methanol; water for 1h; Reflux; | 76% |
S-methyl isothiosemicarbazide hydroiodide
Conditions | Yield |
---|---|
In ethanol for 2h; Condensation; Cyclization; Heating; | 75% |
N-(2-adamantyl)amine
S-methyl isothiosemicarbazide hydroiodide
2-(3-aminoguanidino)adamantane hydroiodide
Conditions | Yield |
---|---|
In ethanol for 4h; Reflux; | 75% |
S-methyl isothiosemicarbazide hydroiodide
3-(methylthio)-5-(5-(3-nitrophenyl)furan-2-yl)-1,2,4-triazine
Conditions | Yield |
---|---|
With sodium hydrogencarbonate In ethanol; water for 2h; Reflux; regioselective reaction; | 74.3% |
4-Phenyl-cyclopenten-(3)-dion-(1,2)
S-methyl isothiosemicarbazide hydroiodide
Conditions | Yield |
---|---|
In 1,4-dioxane for 2h; Condensation; Cyclization; Heating; | 74% |
2-acetylpyridine
S-methyl isothiosemicarbazide hydroiodide
2-acetylpyridine S-methylisothiosemicarbazone
Conditions | Yield |
---|---|
With sodium carbonate decahydrate In ethanol for 3h; Reflux; | 74% |
S-methyl isothiosemicarbazide hydroiodide
Conditions | Yield |
---|---|
In ethanol for 4h; Reflux; | 74% |
S-methyl isothiosemicarbazide hydroiodide
Conditions | Yield |
---|---|
In ethanol for 4h; Reflux; | 74% |
4-(4-chlorophenyl)-2,4-dioxobutanoic acid
S-methyl isothiosemicarbazide hydroiodide
Conditions | Yield |
---|---|
In ethanol for 10h; Condensation; Cyclization; Heating; | 72% |
S-methyl isothiosemicarbazide hydroiodide
Conditions | Yield |
---|---|
In ethanol for 10h; Condensation; Cyclization; Heating; | 72% |
S-methyl isothiosemicarbazide hydroiodide
4-(4-bromo-phenyl)-2,4-dioxo-butyric acid
Conditions | Yield |
---|---|
In ethanol for 2h; Condensation; Cyclization; Heating; | 72% |
S-methyl isothiosemicarbazide hydroiodide
Conditions | Yield |
---|---|
In 1,4-dioxane for 2h; Condensation; Cyclization; Heating; | 70% |
S-methyl isothiosemicarbazide hydroiodide
copper(II) acetate monohydrate
3-methoxy-2-hydroxybenzaldehyde
Conditions | Yield |
---|---|
With AgNO3 In methanol; water byproducts: AgI; ligand in methanol added dropwise to semicarbazide in CH3OH, stirred at 50°C for 2 h, refluxed for 20 min, cooled, treated with Ag salt in CH3OH/H2O 1:2, filtered, treated with Cu salt in CH3OH; crystd.(overnight), filtered, washed (cold methanol), elem. anal.; | 70% |
S-methyl isothiosemicarbazide hydroiodide
Conditions | Yield |
---|---|
In ethanol for 4h; Reflux; | 70% |
This chemical is called Hydrazinecarboximidothioic acid, methyl ester, hydriodide (1:1), and its CAS registry number is 35600-34-1. With the molecular formula of C2H8IN3S, its molecular weight is 105.16.
Other characteristics of the Hydrazinecarboximidothioic acid, methyl ester, hydriodide (1:1) can be summarised as followings: (1)ACD/LogP: 0.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.85; (4)ACD/LogD (pH 7.4): 0.01; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.24; (8)ACD/KOC (pH 7.4): 23.04; (9)#H bond acceptors: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 34.79 Å2; (13)Flash Point: 98 °C; (14)Enthalpy of Vaporization: 47.53 kJ/mol; (15)Boiling Point: 238.4 °C at 760 mmHg; (16)Vapour Pressure: 0.0424 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: [I-].S(C(=[NH+]N)N)C
2.InChI: InChI=1/C2H7N3S.HI/c1-6-2(3)5-4;/h4H2,1H3,(H2,3,5);1H
3.InChIKey: NYMQJWVULPQXBK-UHFFFAOYAS
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