Di-1H-imidazol-1-ylmethanethione

Basic Information

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CAS Number

6160-65-2

Molecular Formula

C7H6N4S

Molecular Weight

178.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

97.0 to 106.0 deg-C

Boiling Point

390.8°C at 760 mmHg

Density

1.3046 (rough estimate)

Flash Point

390.8 °C at 760 mmHg

Solubility

Soluble in terahydrofuran, toluene and dichloromethane.

Refractive Index

1.5500 (estimate)

SMILES

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C1=CN(C=N1)C(=S)N2C=CN=C2

InChI

InChI=1S/C7H6N4S/c12-7(10-3-1-8-5-10)11-4-2-9-6-11/h1-6H

InChIKey

RAFNCPHFRHZCPS-UHFFFAOYSA-N

LogP

0.7608999999999999

Topological Polar Surface Area

35.64 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

166

Safety Information

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GHS Hazard Pictograms

H315

H319

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Stability

Stable, but air and moisture sensitive. Incompatible with strong oxidizing agents, strong acids.

Sensitiveness

Moisture Sensitive

Synonyms & References

English

Thiocarbonyldiimidazole
di-imidazol-1-yl -methanethione
NSC-141692
DTXSID70210614
AS-11837
di(imidazol-1-yl)methanethione
SCHEMBL25270
1-(1H-imidazole-1-carbothioyl)-1H-imidazole
N,N'-Thiocarbonyldiimidazole(TCDI)
MFCD00005289
thiocarbonyldimidazole
thio-carbonyldiimidazole
1,1'-Thiocarbonyldi(1H-imidazole)
TCDI
di(1H-imidazol-1-yl)methanethione
1,1'-Thiocarbonyldiimidazole
1,1 inverted exclamation mark -Thiocarbonyldiimidazole
1,1'-thiocarbonyl-bis-[1H-imidazole]
di-(1H-imidazol-1-yl) methanethione
RAFNCPHFRHZCPS-UHFFFAOYSA-
1-[(1H-imidazol-1-yl)carbothioyl]-1H-imidazole
Trans-4-propylcyclohexyl-4-benzonitrile
1,1'-Thiocarbonylbis(imidazole)
1,1'-thiocarbonyl-diimidazole
Thiocarbonylbisimidazole
1,1'-(Thiocarbonyl)diimidazole
1,1'-thiocarbonylbis[1H-imidazole]
NSC 141692
1,1'-Thiocarbonyldiimidazole, >=95.0% (S)
BCP26059
EN300-99193

MDL Number

MFCD00005289

Customs Code

2933290090

FAQ

What is Di-1H-imidazol-1-ylmethanethione (CAS: 6160-65-2)?

Di-1H-imidazol-1-ylmethanethione is a chemical compound with the CAS number 6160-65-2. It is a white crystalline solid with the molecular formula C5H7N3OS. This compound is characterized by its unique structure that combines imidazole and thione functional groups.

What are the main uses of Di-1H-imidazol-1-ylmethanethione (CAS: 6160-65-2)?

Di-1H-imidazol-1-ylmethanethione is primarily used in pharmaceutical research as a precursor for the synthesis of other compounds. It may also have potential applications in the development of certain drugs. Additionally, it is used in the synthesis of other chemical intermediates and compounds.

Is Di-1H-imidazol-1-ylmethanethione (CAS: 6160-65-2) safe?

Di-1H-imidazol-1-ylmethanethione is generally considered safe under normal handling conditions. However, it is important to follow safety guidelines and wear appropriate personal protective equipment (PPE) such as gloves and goggles. It is not particularly toxic; however, inhalation or ingestion of the compound should be avoided. Follow safety data sheet (SDS) recommendations for safe handling and disposal.

How should Di-1H-imidazol-1-ylmethanethione (CAS: 6160-65-2) be stored?

Di-1H-imidazol-1-ylmethanethione should be stored in a cool, dry place away from direct sunlight and heat sources. The storage temperature should be below 25°C (77°F). It should be kept in a sealed container to prevent moisture absorption. Avoid contact with incompatible materials such as strong acids. Ensure that the storage area is well-ventilated.