Ethanebis(thioamide)

Basic Information

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CAS Number

79-40-3

Molecular Formula

C2H4N2S2

Molecular Weight

120.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Physical Properties

Melting Point

≥300 °C

Boiling Point

287.76°C (estimate)

Density

1.353 (estimate)

Water Solubility

Soluble in alcohols. Slightly soluble in water. Insoluble in ether

Flash Point

106.2 °C

Solubility

ethanol: soluble40mg/10 mL, clear, red

Refractive Index

1.5300 (estimate)

SMILES

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C(=S)(C(=S)N)N

InChI

InChI=1S/C2H4N2S2/c3-1(5)2(4)6/h(H2,3,5)(H2,4,6)

InChIKey

OAEGRYMCJYIXQT-UHFFFAOYSA-N

LogP

-0.44139999999999996

Topological Polar Surface Area

52.04 Å²

Hydrogen Bond Donor/Acceptor

4 / 2

Complexity

75.5

Safety Information

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GHS Hazard Pictograms

H302

H315

H319

H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Stability

Stable.

Synonyms & References

English

SCHEMBL259606
AKOS000121555
Dithio oxamide
METHYL6-(1-BOC-PIPERIDIN-4-YLOXY)INDOLE-2-CARBOXYLATE
RubeanicAcid
WLN: SUYZYZUS
dithiooxamid-
Rubean
Z56347000
Ethanedithioamide-
Rubeanic acid
AS-57364
F0001-2077
NCGC00248827-01
CHEMBL3184806
CAS-79-40-3
Oxaldiimidic acid, dithio-
NSC 1893
W-203815
USAF B-43
LS-7368
RVK
EINECS 201-203-9
Dithiooxamide
STL185575
1,2-ETHANEDISULFENAMIDE
D78448
A839674
UNII-HE28T8Z08D
Dithioxamide
CS-W011204

MDL Number

MFCD00004941

Customs Code

29309070

FAQ

What are the physical and chemical properties of Ethanebis(thioamide) (CAS: 79-40-3)?

Ethanebis(thioamide) (CAS: 79-40-3) is a colorless to white crystalline solid at room temperature. Its molecular weight is approximately 136.23 g/mol. It is soluble in common organic solvents like ethanol and acetone but has low solubility in water. The compound is relatively stable but can undergo hydrolysis in the presence of moisture. It is not highly reactive under normal conditions but should be handled with care due to its potential to react with strong acids or bases.

How is Ethanebis(thioamide) (CAS: 79-40-3) typically synthesized?

Ethanebis(thioamide) (CAS: 79-40-3) can be synthesized through the condensation of thiourea with ethylene glycol in the presence of a suitable catalyst, such as p-toluenesulfonic acid. The reaction is typically carried out under mild conditions, and the product is isolated by filtration and recrystallization. The yield is generally around 75-85%, with good selectivity towards the desired product.

What industries use Ethanebis(thioamide) (CAS: 79-40-3)?

Ethanebis(thioamide) (CAS: 79-40-3) is primarily used in the pharmaceutical industry as a precursor for the synthesis of certain drugs, particularly those containing sulfur-containing functional groups. It is also used in polymer manufacturing for its reactivity, in the production of organic sensors, and in the semiconductor industry due to its stability and reactivity.

What precautions should be taken when handling Ethanebis(thioamide) (CAS: 79-40-3)?

When handling Ethanebis(thioamide) (CAS: 79-40-3), it is important to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. The compound should be stored in a cool, dry place away from sources of heat and moisture to prevent hydrolysis. Spills should be cleaned up immediately with care to avoid inhaling the dust. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.