Dimethyl [(methylsulfanyl)methylylidene]biscarbamate

Basic Information

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CAS Number

34840-23-8

Molecular Formula

C6H10N2O4S

Molecular Weight

206.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Melting Point

102-105°C

SMILES

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COC(=O)NC(=NC(=O)OC)SC

InChI

InChI=1S/C6H10N2O4S/c1-11-5(9)7-4(13-3)8-6(10)12-2/h1-3H3,(H,7,8,9,10)

InChIKey

KHBXLYPOXVQKJG-UHFFFAOYSA-N

LogP

0.8278000000000001

Topological Polar Surface Area

76.99 Å²

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

229

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

KHBXLYPOXVQKJG-UHFFFAOYSA-N
1,3-dicarbomethoxy-S-methylisothiourea
N,N'-bismethoxycarbonyl-S-methylisothiourea
1,3-bis(methoxy carbonyl)-2-methyl-2-thiopseudourea
1,3-Bis(methoxycarbonyl)-2-methyl-2-thiopseudourea
1,3-Bis(methoxycarbonyl)-2-methyl-2-thiopseudoeura
1,3-bis(methoxycarbonyl)-2-methyl-thiopseudourea
34840-23-8
C6H10N2O4S
DTXSID20956313
F14977
methyl N-{[(methoxycarbonyl)amino](methylsulfanyl)methylidene}carbamate
1,3-bis(methoxycarbonyl)-S-methylisothiourea
dimethyl[(Z)-(methylsulphanyl)methylylidene]biscarbamate
N,N'-dicarbomethoxy-S-methylisothiourea
1,3-bis(methoxycarbonyl)-2-methylisothiourea
methyl (NZ)-N-[(methoxycarbonylamino)-methylsulfanylmethylidene]carbamate
AKOS016038808
NS00009473
N,N'-di(methoxycarbonyl)-S-methylisothiourea
1,3-bis(methoxycarbonyl)-S-methyl isothiourea
3-Bis(Methoxycarbonyl)-2-Methyl-2-thiopseudourea
1,3-bis(methoxycarbonyl)-2-methyl-2- thiopseudourea
BCP10631
MFCD00590781
Methyl hydrogen {[(methoxycarbonyl)imino](methylsulfanyl)methyl}carbonimidate
SY103841
1,3-Bis(methoxycarbonyl)-S-methyl-2-thiopseudourea
Methyl (((methoxycarbonyl)amino)(methylthio)methylene)carbamate
methyl [(methoxycarbonylamino)(methylthio)methylene]carbamate
2-Methylisothiourea-1,3-dicarboxylate

MDL Number

MFCD00674104

FAQ

What are the physical and chemical properties of Dimethyl [(methylsulfanyl)methylylidene]biscarbamate (CAS: 34840-23-8)?

Dimethyl [(methylsulfanyl)methylylidene]biscarbamate (CAS: 34840-23-8) is a crystalline solid with a molecular weight of approximately 246.31 g/mol. It has low water solubility and moderate solubility in common organic solvents. The compound is reactive and can undergo hydrolysis and other chemical transformations under certain conditions.

How is Dimethyl [(methylsulfanyl)methylylidene]biscarbamate (CAS: 34840-23-8) typically synthesized?

Dimethyl [(methylsulfanyl)methylylidene]biscarbamate (CAS: 34840-23-8) is synthesized through a carbamate formation reaction involving methyl isothiocyanate and dimethyl sulfide. The reaction typically requires a suitable solvent and may use an acid catalyst to promote the reaction. The yield is generally good, with the final product being isolated by filtration and purified by recrystallization.

What industries use Dimethyl [(methylsulfanyl)methylylidene]biscarbamate (CAS: 34840-23-8)?

Dimethyl [(methylsulfanyl)methylylidene]biscarbamate (CAS: 34840-23-8) finds applications in the pharmaceutical industry for synthesizing certain compounds, as well as in the sensor industry where it can be used as a chemical probe. Its reactivity makes it useful in materials science for the synthesis of novel polymers and semiconductors.

What precautions should be taken when handling Dimethyl [(methylsulfanyl)methylylidene]biscarbamate (CAS: 34840-23-8)?

When handling Dimethyl [(methylsulfanyl)methylylidene]biscarbamate (CAS: 34840-23-8), it is crucial to use appropriate personal protective equipment (PPE) such as gloves and safety goggles. The compound should be stored in a cool, dry place away from direct sunlight and moisture. Spills should be cleaned up immediately using appropriate absorbent materials, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions.