2-Mercapto-5-methoxybenzimidazole, 99%

Description

CAS: 37052-78-1 | C8H8N2OS | 180.23 g/mol

2-Mercapto-5-methoxybenzimidazole is used in the preparation of COX-2 inhibitors. It is also employed in the preparation of compounds such as 5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfonyl]-1H-benzimidazole and 5-methoxy-2-[[(4-methoxy-3,5-dimethylpyridin-2-yl-1-oxide)methyl]sulfonyl]-1H-benzimidazole. Further, it acts as a hetercocyclic building block and serves as an intermediate of drug omeprazole.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
2-Mercapto-5-methoxybenzimidazole is used in the preparation of COX-2 inhibitors. It is also employed in the preparation of compounds such as 5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfonyl]-1H-benzimidazole and 5-methoxy-2-[[(4-methoxy-3,5-dimethylpyridin-2-yl-1-oxide)methyl]sulfonyl]-1H-benzimidazole. Further, it acts as a hetercocyclic building block and serves as an intermediate of drug omeprazole.

Solubility
Soluble in dimethyl sulfoxide. Slightly soluble in methanol. Insoluble in water.

Notes
Air sensitive. Store in a cool place. Incompatible with strong oxidizing agents, acids, bases and reducing agents.

Specifications

Chemical Identifiers

• CAS: 37052-78-1
• Molecular Formula: C8H8N2OS
• Molecular Weight (g/mol): 180.23
• MDL Number: MFCD00134581
• InChI Key: KOFBRZWVWJCLGM-UHFFFAOYSA-N
• Synonym: 5-methoxy-2-mercaptobenzimidazole, 2-mercapto-5-methoxybenzimidazole, 5-methoxy-1h-benzo d imidazole-2-thiol, 5-methoxy-2-benzimidazolethiol, 5-methoxy-1h-benzimidazole-2-thiol, 5-methoxy-1h-1,3-benzodiazole-2-thiol, 2-mercapto-5-methoxy-1h-benzimidazole, 5-methoxy-1h-benzoimidazole-2-thiol, 1,3-dihydro-5-methoxy-2h-benzimidazole-2-thione, 5-methoxybenzimidazole-2-thiol
• PubChem CID: 665603
• SMILES: COC1=CC=C2NC(=S)NC2=C1

• Melting Point: 255°C to 259°C
• Quantity: 5 g
• Beilstein: 3605123
• Solubility Information: Soluble in dimethyl sulfoxide. Slightly soluble in methanol. Insoluble in water.
• IUPAC Name: 5-methoxy-2,3-dihydro-1H-1,3-benzodiazole-2-thione
• Formula Weight: 180.23
• Percent Purity: 99%
• Chemical Name or Material: 2-Mercapto-5-methoxybenzimidazole

Safety and Handling

Hazard Category	H302-H317
Hazard Statement	GHS H Statement H315-H319-H335 Causes skin irritation. Causes serious eye irritation. May cause respiratory irritation.
Precautionary Statement	P261-P264b-P270-P271-P272-P280g-P301+P312-P302+P352-P304+P340-P312-P330-P333+P313-P363-P501c
EINECSNumber	253-326-2
TSCA	No
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only