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Hydrazinecarboximidothioic acid, methyl ester, hydriodide (1:1)

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Name

Hydrazinecarboximidothioic acid, methyl ester, hydriodide (1:1)

EINECS N/A
CAS No. 35600-34-1 Density 1.38 g/cm3
PSA 87.20000 LogP 1.93660
Solubility N/A Melting Point 137-139 °C(Solv: ethanol (64-17-5))
Formula C2H8IN3S Boiling Point 238.4 °C at 760 mmHg
Molecular Weight 233.076 Flash Point 98 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 35600-34-1 (S-METHYL ISOTHIOSEMICARBAZIDE HYDROIODIDE) Hazard Symbols IrritantXi
Synonyms

Hydrazinecarboximidothioicacid, methyl ester, monohydriodide (9CI);Isosemicarbazide, 3-methyl-3-thio-,hydriodide (6CI);3-Methylisothiosemicarbazide hydriodide;S-Methylisothiosemicarbazide hydriodide;S-Methylthiosemicarbazide hydrogeniodide;

Article Data 27

Hydrazinecarboximidothioic acid, methyl ester, hydriodide (1:1) Synthetic route

79-19-6

thiosemicarbazide

74-88-4

methyl iodide

35600-34-1

S-methyl isothiosemicarbazide hydroiodide

Conditions
ConditionsYield
In ethanol at 60℃; for 0.5h;98%
In ethanol at 60℃; for 0.5h; Inert atmosphere;91%
In ethanol for 2h; Heating;80%
10601-19-1

5-methoxyindole-3-carboxaldehyde

35600-34-1

S-methyl isothiosemicarbazide hydroiodide

1-((5-methoxy-1H-indol-3-yl)methylene)-S-methyl-isothiosemicarbazide

Conditions
ConditionsYield
With triethylamine In methanol at 25 - 30℃; for 2h;100%
110-91-8

morpholine

35600-34-1

S-methyl isothiosemicarbazide hydroiodide

31106-56-6

C5H12N4O

Conditions
ConditionsYield
In ethanol for 4h; Reflux;98.95%
35600-34-1

S-methyl isothiosemicarbazide hydroiodide

431-03-8

dimethylglyoxal

7275-70-9

3-methylthio-5,6-dimethyl-1,2,4-triazine

Conditions
ConditionsYield
With sodium hydrogencarbonate In water at 20℃; for 16h;95%
With sodium hydrogencarbonate In water at 20℃; for 16h; Inert atmosphere;95%
86%

C14H10O5

35600-34-1

S-methyl isothiosemicarbazide hydroiodide

1529785-27-0

methyl 3-(5-(3-(methylthio)-1,2,4-triazin-5-yl)furan-2-yl)benzoate

Conditions
ConditionsYield
With sodium hydrogencarbonate In ethanol; water for 2h; Reflux; regioselective reaction;95%
35600-34-1

S-methyl isothiosemicarbazide hydroiodide

4998-15-6

4-chlorophenylglyoxal

67642-94-8

5-(4-chlorophenyl)-3-(methylthio)-1,2,4-triazine

Conditions
ConditionsYield
93%

C13H7F3O3

35600-34-1

S-methyl isothiosemicarbazide hydroiodide

1529785-26-9

3-(methylthio)-5-(5-(2-(trifluoromethyl)phenyl)furan-2-yl)-1,2,4-triazine

Conditions
ConditionsYield
With sodium hydrogencarbonate In ethanol; water for 2h; Reflux; regioselective reaction;91.5%
35600-34-1

S-methyl isothiosemicarbazide hydroiodide

28735-21-9

3-methylthio-1,2,4-triazine

Conditions
ConditionsYield
With sodium hydrogencarbonate In water for 0.166667h; Cooling with ice;90%
89%
With sodium hydrogencarbonate In water at 0℃; for 5h;88%
10601-19-1

5-methoxyindole-3-carboxaldehyde

35600-34-1

S-methyl isothiosemicarbazide hydroiodide

1285666-41-2

1-[(5-methoxy-1H-indole-3yl)methyleneamino]isothiourea hydroiodide

Conditions
ConditionsYield
With hydrogenchloride In water; ethyl acetate pH=1 - 2;90%

C14H9NO4

35600-34-1

S-methyl isothiosemicarbazide hydroiodide

1529785-34-9

3-(methylthio)-5-(3'-nitrobiphenyl-4-yl)-1,2,4-triazine

Conditions
ConditionsYield
With sodium hydrogencarbonate In ethanol; water for 2h; Reflux; regioselective reaction;87.3%

Hydrazinecarboximidothioic acid, methyl ester, hydriodide (1:1) Specification

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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