4-Methyl-1,3-dihydro-2H-benzimidazole-2-thione

Basic Information

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CAS Number

53988-10-6

Molecular Formula

C8H8N2S

Molecular Weight

164.23 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

273 ºC

Density

1.25

Refractive Index

1.5700 (estimate)

SMILES

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CC1=C2C(=CC=C1)NC(=S)N2

InChI

InChI=1S/C8H8N2S/c1-5-3-2-4-6-7(5)10-8(11)9-6/h2-4H,1H3,(H2,9,10,11)

InChIKey

UDQCDDZBBZNIFA-UHFFFAOYSA-N

LogP

2.1600199999999994

Topological Polar Surface Area

28.68 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

181

Synonyms & References

English

CBA23133
AKOS002329094
Vanox MTI
4-(or 5-)Methyl-1H-benzimidazole-2-thiol
4-methyl-1,3-dihydro-2H-benzo[d]imidazole-2-thione
4(or 5)-Methyl-2-mercaptobenzimidazole
NSC 129263
CHEMBL4879224
4-methyl-2,3-dihydro-1H-1,3-benzodiazole-2-thione
1,3-Dihydro-4(or 5)-methyl-2H-benzimidazole-2-thione
MFCD03265647
EINECS 258-904-8
Vulkanox MB 2
SCHEMBL110724
4-methyl-1H-benzo[d]imidazole-2-thiol
2-Mercaptomethylbenzimidazole
2-MMBI
DTXSID2067290
27231-33-0
MFCD05722429
2H-Benzimidazole-2-thione, 1,3-dihydro-4-methyl-
4-methyl-1,3-dihydrobenzimidazole-2-thione
FT-0640206
UDQCDDZBBZNIFA-UHFFFAOYSA-N
CS-0153407
Z596250516
4-Methyl-2-mercaptobenzimidazole
2H-Benzimidazole-2-thione,3-dihydro-4-methyl-
AS-69005
AKOS024016114
Nocrac MMB

MDL Number

MFCD05722429

FAQ

What are the physical and chemical properties of 4-Methyl-1,3-dihydro-2H-benzimidazole-2-thione (CAS: 53988-10-6)?

4-Methyl-1,3-dihydro-2H-benzimidazole-2-thione (CAS: 53988-10-6) is a solid with a crystalline form. Its molecular weight is approximately 210.25 g/mol. It is slightly soluble in water and organic solvents. The compound is generally stable under normal conditions but can react with strong oxidizers. It has good thermal stability but should be stored away from heat sources.

How is 4-Methyl-1,3-dihydro-2H-benzimidazole-2-thione (CAS: 53988-10-6) typically synthesized?

4-Methyl-1,3-dihydro-2H-benzimidazole-2-thione (CAS: 53988-10-6) is typically synthesized via the condensation of a methylthioisonicotinate with an appropriate amine. Common methods involve the use of palladium catalysts and ligands. The yield is generally good, around 70-80%, with high selectivity for the desired product.

What industries use 4-Methyl-1,3-dihydro-2H-benzimidazole-2-thione (CAS: 53988-10-6)?

4-Methyl-1,3-dihydro-2H-benzimidazole-2-thione (CAS: 53988-10-6) finds applications in the pharmaceutical industry for its role as an intermediate in the synthesis of various biologically active compounds. It is also used in the development of sensors and as a component in certain polymers due to its unique chemical properties.

What precautions should be taken when handling 4-Methyl-1,3-dihydro-2H-benzimidazole-2-thione (CAS: 53988-10-6)?

When handling 4-Methyl-1,3-dihydro-2H-benzimidazole-2-thione (CAS: 53988-10-6), it is important to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up with appropriate absorbent materials, and the area should be well ventilated. Always refer to the safety data sheet (SDS) for detailed instructions and emergency procedures.