Determine the necessary mass, volume, or concentration for preparing a solution.
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analytical standard Analytical standard 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 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| ALogP | 3.6 |
|---|
| Canonical Smiles | COC(=O)NC1=NC2=C(N1)C=C(C=C2)SC3=CC=CC=C3 |
|---|---|
| IUPAC Name | methyl N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)carbamate |
| InChIKey | HDDSHPAODJUKPD-UHFFFAOYSA-N |
| INCHI | 1S/C15H13N3O2S/c1-20-15(19)18-14-16-12-8-7-11(9-13(12)17-14)21-10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19) |
| Isomeric SMILES | COC(=O)NC1=NC2=C(N1)C=C(C=C2)SC3=CC=CC=C3 |
| Molecular Weight | 299.35 |
| Reaxy-Rn | 759069 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=759069&ln= |
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 | 2-benzimidazolylcarbamic acid esters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 2-benzimidazolylcarbamic acid esters |
| Alternative Parents | Diarylthioethers Thiophenol ethers Benzene and substituted derivatives Imidazoles Heteroaromatic compounds Carbamate esters Organic carbonic acids and derivatives Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 2-benzimidazolylcarbamic acid ester - Diarylthioether - Aryl thioether - Thiophenol ether - Monocyclic benzene moiety - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Carbamic acid ester - Carbonic acid derivative - Thioether - Azacycle - Sulfenyl compound - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 2-benzimidazolylcarbamic acid esters. These are aromatic heteropolycyclic compounds that contain a carbamic acid ester group, which is N-linked to the C2-atom of a benzimidazole moiety. |
| External Descriptors | carbamate ester - organic sulfide - benzimidazoles |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Sep 16, 2025 | F114345 | |
| Certificate of Analysis | Jan 15, 2025 | F114345 | |
| Certificate of Analysis | Jan 15, 2025 | F114345 | |
| Certificate of Analysis | Jan 15, 2025 | F114345 |
| Melt Point(°C) | 233°C |
|---|---|
| Molecular Weight | 299.300 g/mol |
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 299.073 Da |
| Monoisotopic Mass | 299.073 Da |
| Topological Polar Surface Area | 92.300 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 363.000 |
| 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 |
| 1. Fulin Mao, Weizhong Shi, Hongkun Zhao, Wanxin Li, Abolghasem Jouyban, William E. Acree. (2023) Comprehensive solubility study and inter-molecular interactions on fenbendazole dissolved in some aqueous aprotic and protic co-solvent solutions. JOURNAL OF CHEMICAL THERMODYNAMICS, [PMID:] [10.1016/j.jct.2023.107231] |
| 2. Yi Peng, Jie Pan, Fengting Ou, Wenchao Wang, Haihong Hu, Lu Chen, Su Zeng, Kui Zeng, Lushan Yu. (2022) Fenbendazole and its synthetic analog interfere with HeLa cells’ proliferation and energy metabolism via inducing oxidative stress and modulating MEK3/6-p38-MAPK pathway. CHEMICO-BIOLOGICAL INTERACTIONS, [PMID:35569513] [10.1016/j.cbi.2022.109983] |
| 3. Qin Li, Xuanping Tan, Jin Li, Li Pan, Xiaorong Liu. (2015) Glutathione-capped CdTe nanocrystals as probe for the determination of fenbendazole. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, [PMID:25659737] [10.1016/j.saa.2015.01.026] |
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