1,3-Dihydro-2H-imidazole-2-thione

Basic Information

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CAS Number

872-35-5

Molecular Formula

C3H4N2S

Molecular Weight

100.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

228-231 °C

Boiling Point

152.4℃ at 760 mmHg

Density

1.4±0.1 g/cm3

Flash Point

108.0±22.6 °C

Solubility

methanol: soluble50mg/mL, clear to slightly hazy, colorless to yellow

Refractive Index

1.696

Vapor Pressure

0.0±0.5 mmHg at 25°C

SMILES

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Sc1ncc[nH]1

InChI

InChI=1S/C3H4N2S/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)

InChIKey

OXFSTTJBVAAALW-UHFFFAOYSA-N

LogP

0.6984

Topological Polar Surface Area

28.68 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

Safety Information

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Hazard Statement

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

Synonyms & References

English

1H-Imidazole-2(3H)-thione
2-Imidazolethiol
2-Mercaptoimidazole
1H-Imidazole-2-thiol
IMIDAZOLE-2-THIOL
1,3-Vinylenethiourea
1,3-dihydroimidazole-2-thione
Imidazole, 2-mercapto-
4-Imidazoline-2-thione
2H-Imidazole-2-thione, 1,3-dihydro-
Mercaptoimidazole
2-Thioxo-2,3-dihydroimidazole
2-Mercapto-1H-imidazole
FD37BLD6L2
1,3-dihydro-imidazole-2-thione
OXFSTTJBVAAALW-UHFFFAOYSA-N
1,3-Dihydro-2H-imidazole
1,3-Dihydro-2H-imidazole-2-thione (ACI)
2-Imidazolemercaptan (3CI)
4-Imidazoline-2-thione (7CI)
Imidazole-2-thiol (6CI, 8CI)
1,3-Dihydroimidazole-2-thione
1-Imidazole-2(3H)-thione
2-Thioimidazole
NSC 112715

MDL Number

MFCD00005188

Customs Code

2933290090

FAQ

What are the physical and chemical properties of 1,3-Dihydro-2H-imidazole-2-thione (CAS: 872-35-5)?

1,3-Dihydro-2H-imidazole-2-thione (CAS: 872-35-5) is a solid crystalline compound with a molecular weight of approximately 94.11 g/mol. It has a melting point of 104-105°C and is slightly soluble in water. It is reactive towards bases and reducing agents.

How is 1,3-Dihydro-2H-imidazole-2-thione (CAS: 872-35-5) typically synthesized?

1,3-Dihydro-2H-imidazole-2-thione is typically synthesized via the reaction of imidazole and thiourea. The synthesis involves heating a mixture of imidazole and thiourea in the presence of a solvent like ethanol or dimethylformamide (DMF) under reflux conditions. The yield is approximately 90%.

What industries use 1,3-Dihydro-2H-imidazole-2-thione (CAS: 872-35-5)?

1,3-Dihydro-2H-imidazole-2-thione is used in various industries, including pharmaceuticals, where it serves as a precursor in the synthesis of certain drugs. It is also used in the production of polymers and as a sensor material for detecting certain gases.

What precautions should be taken when handling 1,3-Dihydro-2H-imidazole-2-thione (CAS: 872-35-5)?

When handling 1,3-Dihydro-2H-imidazole-2-thione (CAS: 872-35-5), it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be stored in a cool, well-ventilated area and handled in a fume hood due to its reactivity. In case of spillage, the area should be cleaned up immediately and the material disposed of according to local regulations. SDS should be consulted for detailed safety information.