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| CAS No.: | 35600-34-1 |
|---|---|
| Name: | S-METHYL ISOTHIOSEMICARBAZIDE HYDROIODIDE |
| Article Data: | 27 |
| Molecular Structure: | |
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|
|
| Formula: | C2H8IN3S |
| Molecular Weight: | 233.076 |
| Synonyms: | Hydrazinecarboximidothioicacid, methyl ester, monohydriodide (9CI);Isosemicarbazide, 3-methyl-3-thio-,hydriodide (6CI);3-Methylisothiosemicarbazide hydriodide;S-Methylisothiosemicarbazide hydriodide;S-Methylthiosemicarbazide hydrogeniodide; |
| Density: | 1.38 g/cm3 |
| Melting Point: | 137-139 °C(Solv: ethanol (64-17-5)) |
| Boiling Point: | 238.4 °C at 760 mmHg |
| Flash Point: | 98 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 87.20000 |
| LogP: | 1.93660 |
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- 852475-26-4MC1568
| 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% |
- 10601-19-1
5-methoxyindole-3-carboxaldehyde
- 35600-34-1
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% |
- 35600-34-1
S-methyl isothiosemicarbazide hydroiodide
- 431-03-8
dimethylglyoxal
- 7275-70-9
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% |
- 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 93% |
- 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 | Yield |
|---|---|
| With sodium hydrogencarbonate In ethanol; water for 2h; Reflux; regioselective reaction; | 91.5% |
- 131543-46-9
Glyoxal
- 35600-34-1
S-methyl isothiosemicarbazide hydroiodide
- 28735-21-9
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% |
- 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 | Yield |
|---|---|
| With hydrogenchloride In water; ethyl acetate pH=1 - 2; | 90% |
- 35600-34-1
S-methyl isothiosemicarbazide hydroiodide
- 1529785-34-9
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% |
- Total:23 Page 1 of 1 1
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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