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5397-03-5

5397-03-5 Structure

5397-03-5 Structure
IdentificationBack Directory
[Name]

methyldithiocarbazate
[CAS]

5397-03-5
[Synonyms]

methyldithiocarbazate
Methyl hydrazinecarbodithioate
methyl N-aminocarbamodithioate
Mercapto(methylthio)methanonehydrazone
Hydrazinecarbodithioic acid methyl ester
{[(methylsulfanyl)methanethioyl]amino}amine
1-[(Methylthio)(mercapto)methylene]hydrazine
Hydrazine-1-dithiocarboxylic acid methyl ester
[Molecular Formula]

C2H6N2S2
[MDL Number]

MFCD00463356
[MOL File]

5397-03-5.mol
[Molecular Weight]

122.21
Questions And AnswerBack Directory
[Synthesis]

Synthetic route of methyldithiocarbazate

In a 500ml three-necked flask, add 60ml of water and 50ml of isopropanol. Under water bath cooling, add 49.5g (0.75mol) of potassium hydroxide in portions, stirring until completely dissolved. Slowly add 39g (0.75mol) of 85% hydrazine monohydrate at <20℃ over 10 minutes. Remove the water bath and replace it with an ice bath. Add 57.5g (0.75mol) of ice-cold carbon disulfide dropwise over 100 minutes at 10℃. Stir for 2 hours after the addition is complete. Then raise the temperature to 15℃ and add 94% ice-cold carbon disulfide dropwise over 2.5 hours.

Add 5 g (0.75 mol) of dimethyl sulfate, and continue stirring for 1 hour. Filter the resulting white precipitate, wash with a small amount of ice water, vacuum dry, and recrystallize from dichloromethane to obtain 55 g of colorless flaky crystals, yield 60%, mp. 81–82 °C.
Chemical PropertiesBack Directory
[Melting point ]

79 °C(Solv: benzene (71-43-2))
[Boiling point ]

207.3±23.0 °C(Predicted)
[density ]

1.314±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C, protect from light
[form ]

solid
[pka]

9.15±0.70(Predicted)
[color ]

White
[InChI]

InChI=1S/C2H6N2S2/c1-6-2(5)4-3/h3H2,1H3,(H,4,5)
[InChIKey]

ILAXBOIRSPXAMM-UHFFFAOYSA-N
[SMILES]

N(C(=S)SC)N
[EPA Substance Registry System]

Hydrazinecarbodithioic acid, methyl ester (5397-03-5)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P280-P304+P340
[TSCA ]

TSCA listed
[HS Code ]

2930909899
Hazard InformationBack Directory
[Uses]

methyldithiocarbazate is a pharmaceutical intermediate and used as an intermediate of fluthiachlor.
[storage]

Storage in ventilated low temperature dry warehouse; Keep container closed and separately from open flame and heat source.
Spectrum DetailBack Directory
[Spectrum Detail]

methyldithiocarbazate(5397-03-5)1HNMR
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