| Typical physical and chemical properties | |
|---|---|
| Catalog Number | ACM583391-2 |
| Product Name | 2-Mercaptobenzimidazole |
| CAS | 583-39-1 |
| Structure |  |
| Synonyms | 1H-Benzoimidazole-2-thiol |
| Description | 2-mercaptobenzimidazole appears as white to yellow crystals or cream colored powder. Slight odor. (NTP, 1992) |
| IUPAC Name | 1,3-Dihydrobenzimidazole-2-thione |
| Molecular Weight | 150.2 |
| Molecular Formula | C7H6N2S |
| 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) |
| InChIKey | YHMYGUUIMTVXNW-UHFFFAOYSA-N |
| Boiling Point | 270.6±23.0 °C |
| Melting Point | 300-304 °C |
| Purity | 98%+ |
| Density | 1.42 (NTP, 1992) |
| Solubility | Slightly soluble in hot water |
| Appearance | Powder |
| Storage | 2-8 °C |
| Complexity | 142 |
| Covalently-Bonded Unit Count | 1 |
| Exact Mass | 150.02516937 |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Monoisotopic Mass | 150.02516937 |
| Physical State | White powder |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 56.2 Ų |
| Vapor Pressure | 30.2 mm Hg at 142 °F (NTP, 1992) |
| MSDS | Download MSDS |
| COA | Download COA |
| Spec Sheet | Download Spec Sheet |
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