≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504759979 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504759979 |
| Canonical Smiles | C1=CC=C(C=C1)N2C3=CC=CC=C3NC2=S |
| IUPAC Name | 3-phenyl-1H-benzimidazole-2-thione |
| InChIKey | JKIGHOGKGARVAG-UHFFFAOYSA-N |
| INCHI | 1S/C13H10N2S/c16-13-14-11-8-4-5-9-12(11)15(13)10-6-2-1-3-7-10/h1-9H,(H,14,16) |
| Isomeric SMILES | C1=CC=C(C=C1)N2C3=CC=CC=C3NC2=S |
| PubChem CID | 720852 |
| Molecular Weight | 226.3 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzimidazoles |
| Subclass | Phenylbenzimidazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylbenzimidazoles |
| Alternative Parents | Phenylimidazoles N-substituted imidazoles Imidazolethiones Benzene and substituted derivatives Heteroaromatic compounds Thioureas Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylbenzimidazole - 1-phenylimidazole - Monocyclic benzene moiety - Imidazole-2-thione - N-substituted imidazole - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Thiourea - Azacycle - Organopnictogen compound - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylbenzimidazoles. These are compounds containing a phenylbenzimidazole skeleton, which consists of a benzimidazole moiety where its imidazole ring is attached to a phenyl group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 H2215021 | Certificate of Analysis | May 07, 2025 | P332597 |
| H2215022 | Certificate of Analysis | May 07, 2025 | P332597 |
| H2215023 | Certificate of Analysis | May 07, 2025 | P332597 |
| L2419026 | Certificate of Analysis | Jul 05, 2022 | P332597 |
| Molecular Weight | 226.300 g/mol |
|---|---|
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 226.056 Da |
| Monoisotopic Mass | 226.056 Da |
| Topological Polar Surface Area | 47.400 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 273.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
