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Methyldithiocarbazate

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Name

Methyldithiocarbazate

EINECS N/A
CAS No. 5397-03-5 Density 1.314 g/cm3
PSA 95.44000 LogP 1.18880
Solubility N/A Melting Point 79 °C(Solv: benzene (71-43-2))
Formula C2H6N2S2 Boiling Point 207.3 °C at 760 mmHg
Molecular Weight 122.215 Flash Point 79.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 5397-03-5 (methyldithiocarbazate) Hazard Symbols N/A
Synonyms

Carbazicacid, dithio-, methyl ester (7CI,8CI);Dithiocarbazic acid methyl ester;Hydrazine-S-methylcarbodithioate;Methyl dithiocarbazate;Methylhydrazinecarbodithioate;NSC 4423;S-Methyl dithiocarbazate;S-Methylhydrazinecarbodithioate;

Article Data 51

Methyldithiocarbazate Synthetic route

2314-48-9

(S,S)-dimethyl trithiocarbonate

5397-03-5

hydrazinecarbodithioic acid methyl ester

Conditions
ConditionsYield
With hydrazine hydrate In ethanol at 0℃; for 3h;91%
75-15-0

carbon disulfide

74-88-4

methyl iodide

5397-03-5

hydrazinecarbodithioic acid methyl ester

Conditions
ConditionsYield
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
ConditionsYield
With potassium hydroxide In water; isopropyl alcohol at 20℃; for 4h;90%
75-15-0

carbon disulfide

77-78-1

dimethyl sulfate

5397-03-5

hydrazinecarbodithioic acid methyl ester

Conditions
ConditionsYield
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
ConditionsYield
In water
5456-21-3

S-ammonium hydrazinecarbodithiolate

74-88-4

methyl iodide

5397-03-5

hydrazinecarbodithioic acid methyl ester

Conditions
ConditionsYield
In water
74-88-4

methyl iodide

ammonium salt of dithiocarbazic acid

ammonium salt of dithiocarbazic acid

5397-03-5

hydrazinecarbodithioic acid methyl ester

Conditions
ConditionsYield
With ethanol
74-88-4

methyl iodide

dithiocarbazinate potassium

dithiocarbazinate potassium

5397-03-5

hydrazinecarbodithioic acid methyl ester

Conditions
ConditionsYield
75-15-0

carbon disulfide

5397-03-5

hydrazinecarbodithioic acid methyl ester

Conditions
ConditionsYield
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
ConditionsYield
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;

Methyldithiocarbazate 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%.

Methyldithiocarbazate can react with furfural to get furfurylidene-hydrazinecarbodithioic acid methyl ester

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

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