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| CAS No.: | 5397-03-5 |
|---|---|
| Name: | methyldithiocarbazate |
| Molecular Structure: | |
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| Formula: | C2H6N2S2 |
| Molecular Weight: | 122.215 |
| Synonyms: | Carbazicacid, dithio-, methyl ester (7CI,8CI);Dithiocarbazic acid methyl ester;Hydrazine-S-methylcarbodithioate;Methyl dithiocarbazate;Methylhydrazinecarbodithioate;NSC 4423;S-Methyl dithiocarbazate;S-Methylhydrazinecarbodithioate; |
| Density: | 1.314 g/cm3 |
| Melting Point: | 79 °C(Solv: benzene (71-43-2)) |
| Boiling Point: | 207.3 °C at 760 mmHg |
| Flash Point: | 79.2 °C |
| PSA: | 95.44000 |
| LogP: | 1.18880 |
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| Conditions | Yield |
|---|---|
| With hydrazine hydrate In ethanol at 0℃; for 3h; | 91% |
| Conditions | Yield |
|---|---|
| Stage #1: carbon disulfide With hydrazine hydrate; potassium hydroxide In water; isopropyl alcohol at 0 - 10℃; for 3h; Stage #2: methyl iodide In water; isopropyl alcohol at 20℃; for 4h; Cooling with ice; | 90% |
| Stage #1: carbon disulfide With hydrazine hydrate; potassium hydroxide In water; isopropyl alcohol at 0 - 10℃; Stage #2: methyl iodide In water; isopropyl alcohol at 20℃; | 86.5% |
| Stage #1: carbon disulfide With hydrazine hydrate; potassium hydroxide In water; isopropyl alcohol at 0 - 10℃; for 3h; Stage #2: methyl iodide In water; isopropyl alcohol at 10℃; for 1h; | 64.5% |
- 75-15-0
carbon disulfide
- 302-01-2
hydrazine
- 74-88-4
methyl iodide
- 5397-03-5
hydrazinecarbodithioic acid methyl ester
| Conditions | Yield |
|---|---|
| With potassium hydroxide In water; isopropyl alcohol at 20℃; for 4h; | 90% |
| Conditions | Yield |
|---|---|
| Stage #1: carbon disulfide With hydrazine hydrate; potassium hydroxide In water; isopropyl alcohol at 9 - 10℃; Stage #2: dimethyl sulfate In water; isopropyl alcohol at 12 - 15℃; | 78% |
| Stage #1: carbon disulfide With potassium hydroxide; hydrazine In isopropyl alcohol for 3.66667h; Stage #2: dimethyl sulfate In isopropyl alcohol for 1h; | 60.1% |
| Stage #1: carbon disulfide With hydrazine hydrate; potassium hydroxide In water; isopropyl alcohol at 10℃; for 3.66667h; Stage #2: dimethyl sulfate In water; isopropyl alcohol at 15℃; | 60.1% |
- 5456-21-3
S-ammonium hydrazinecarbodithiolate
- 77-78-1
dimethyl sulfate
- 5397-03-5
hydrazinecarbodithioic acid methyl ester
| Conditions | Yield |
|---|---|
| In water |
- 5456-21-3
S-ammonium hydrazinecarbodithiolate
- 74-88-4
methyl iodide
- 5397-03-5
hydrazinecarbodithioic acid methyl ester
| Conditions | Yield |
|---|---|
| In water |
| Conditions | Yield |
|---|---|
| With ethanol |
| Conditions | Yield |
|---|---|
| Conditions | Yield |
|---|---|
| With potassium hydroxide; hydrazine In isopropyl alcohol |
- 471-32-9
dithiocarbonic acid hydrazide
- 74-88-4
methyl iodide
- 5397-03-5
hydrazinecarbodithioic acid methyl ester
| Conditions | Yield |
|---|---|
| In water; isopropyl alcohol at 10℃; for 3.5h; | 18.5 g |
| In ethanol at 0℃; for 1.5h; | |
| for 3.5h; Cooling with ice; | |
| In water; isopropyl alcohol for 3h; Cooling with ice; |
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Specification
The Methyldithiocarbazate is an organic compound with the formula C2H6N2S2. The IUPAC name of this chemical is methyl N-aminocarbamodithioate. With the CAS registry number 5397-03-5, it is also named as Dithiocarbazic acid methyl ester. The classification codes are TSCA Flag P [A commenced PMN (Premanufacture Notice) substance];
TSCA Flag S [Substance is identified in a proposed or final SNUR (Significant New Use Rule) under TSCA]. In addition, the molecular weight is 122.21.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.39; (4)ACD/LogD (pH 7.4): 0.38; (5)ACD/BCF (pH 5.5): 1.17; (6)ACD/BCF (pH 7.4): 1.15; (7)ACD/KOC (pH 5.5): 38.89; (8)ACD/KOC (pH 7.4): 38.23; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 63.87 Å2; (13)Index of Refraction: 1.645; (14)Molar Refractivity: 33.73 cm3; (15)Molar Volume: 92.9 cm3; (16)Polarizability: 13.37×10-24 cm3; (17)Surface Tension: 66.8 dyne/cm; (18)Density: 1.314 g/cm3; (19)Flash Point: 79.2 °C; (20)Enthalpy of Vaporization: 44.36 kJ/mol; (21)Boiling Point: 207.3 °C at 760 mmHg; (22)Vapour Pressure: 0.227 mmHg at 25°C.
Uses of Methyldithiocarbazate: It can react with furfural to get furfurylidene-hydrazinecarbodithioic acid methyl ester. This reaction which is a kind of condensation needs solvent ethanol by heating. The reaction time is 1 hours. The yield is 50%.
People can use the following data to convert to the molecule structure.
1. SMILES:S=C(SC)NN
2. InChI:InChI=1/C2H6N2S2/c1-6-2(5)4-3/h3H2,1H3,(H,4,5)
3. InChIKey:ILAXBOIRSPXAMM-UHFFFAOYAV