2-Mercaptobenzimidazole

• CAS: 583-39-1
• Catalog Number: ACM583391-2
• Category: Imidazoles
• Molecular Weight: 150.2
• Molecular Formula: C7H6N2S
• Description: 2-mercaptobenzimidazole appears as white to yellow crystals or cream colored powder. Slight odor. (NTP, 1992)
• Synonyms: 1H-Benzoimidazole-2-thiol
• IUPAC Name: 1,3-Dihydrobenzimidazole-2-thione
• Canonical SMILES: C1=CC=C2C(=C1)NC(=S)N2
• InChI: InChI=1S/C7H6N2S/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H2,8,9,10)
• InChI Key: YHMYGUUIMTVXNW-UHFFFAOYSA-N
• Boiling Point: 270.6±23.0 °C
• Melting Point: 300-304 °C
• Density: 1.42 (NTP, 1992)
• Solubility: Slightly soluble in hot water
• Appearance: Powder
• Storage: 2-8 °C
• Complexity: 142
• Covalently-Bonded Unit Count: 1
• EC Number: 209-502-6;604-756-8
• Exact Mass: 150.02516937
• Formal Charge: 0
• H-Bond Acceptor: 1
• H-Bond Donor: 2
• Heavy Atom Count: 10
• Hydrogen Bond Acceptor Count: 1
• Hydrogen Bond Donor Count: 2
• LogP: 1.66 (LogP)
• Monoisotopic Mass: 150.02516937
• NSC Number: 186246;21414
• Physical State: White powder
• Rotatable Bond Count: 0
• RTECS Number: DE1050000
• Topological Polar Surface Area: 56.2 Ų
• UNII: 619CVM6HOK
• UN Number: 2811
• Vapor Pressure: 30.2 mm Hg at 142 °F (NTP, 1992)
• XLogP3: 1.7

Custom Q&A

What is the molecular formula of 2-Mercaptobenzimidazole?

The molecular formula of 2-Mercaptobenzimidazole is C7H6N2S.

What is the molecular weight of 2-Mercaptobenzimidazole?

The molecular weight of 2-Mercaptobenzimidazole is 150.20 g/mol.

What are the synonyms for 2-Mercaptobenzimidazole?

The synonyms for 2-Mercaptobenzimidazole include 1H-Benzoimidazole-2-thiol and 2-Benzimidazolethiol.

What is the IUPAC name of 2-Mercaptobenzimidazole?

The IUPAC name of 2-Mercaptobenzimidazole is 1,3-dihydrobenzimidazole-2-thione.

What is the InChI key of 2-Mercaptobenzimidazole?

The InChI key of 2-Mercaptobenzimidazole is YHMYGUUIMTVXNW-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Mercaptobenzimidazole?

The canonical SMILES of 2-Mercaptobenzimidazole is C1=CC=C2C(=C1)NC(=S)N2.

What is the CAS number of 2-Mercaptobenzimidazole?

The CAS number of 2-Mercaptobenzimidazole is 583-39-1.

What is the UNII number of 2-Mercaptobenzimidazole?

The UNII number of 2-Mercaptobenzimidazole is 619CVM6HOK.

What is the UN number of 2-Mercaptobenzimidazole?

The UN number of 2-Mercaptobenzimidazole is 2811.

What is the ChEMBL ID of 2-Mercaptobenzimidazole?

The ChEMBL ID of 2-Mercaptobenzimidazole is CHEMBL70141.