100μg/mL in Acetonitrile, with an uncertainty of 3% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 4 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC(C)C1=CC(=CC(=C1NC(=S)NC(C)(C)C)C(C)C)OC2=CC=CC=C2 |
|---|---|
| IUPAC Name | 1-tert-butyl-3-[4-phenoxy-2,6-di(propan-2-yl)phenyl]thiourea |
| InChIKey | WOWBFOBYOAGEEA-UHFFFAOYSA-N |
| INCHI | 1S/C23H32N2OS/c1-15(2)19-13-18(26-17-11-9-8-10-12-17)14-20(16(3)4)21(19)24-22(27)25-23(5,6)7/h8-16H,1-7H3,(H2,24,25,27) |
| Isomeric SMILES | CC(C)C1=CC(=CC(=C1NC(=S)NC(C)(C)C)C(C)C)OC2=CC=CC=C2 |
| PubChem CID | 3034380 |
| Molecular Weight | 384.58 |
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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Diphenylethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diphenylethers |
| Alternative Parents | Diarylethers Phenylpropanes Cumenes Phenoxy compounds Phenol ethers Isothioureas Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Diphenylether - Diaryl ether - Cumene - Phenylpropane - Phenoxy compound - Phenol ether - Isothiourea - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group. |
| External Descriptors | Acaricides |
| Molecular Weight | 384.600 g/mol |
|---|---|
| XLogP3 | 6.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 384.224 Da |
| Monoisotopic Mass | 384.224 Da |
| Topological Polar Surface Area | 65.400 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 447.000 |
| 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. Jiaxuan Fan, Jing Li, Wenfeng Zhou, Haixiang Gao, Runhua Lu. (2022) A low-cost, efficient and selective detection method of acaricide residues: Adsorption study. MICROCHEMICAL JOURNAL, [PMID:] [10.1016/j.microc.2022.108325] |
| 2. Xiaoling Yang, Kexin Qiao, Yiren Ye, Miyi Yang, Jing Li, Haixiang Gao, Sanbing Zhang, Wenfeng Zhou, Runhua Lu. (2016) Facile synthesis of multifunctional attapulgite/Fe3O4/polyaniline nanocomposites for magnetic dispersive solid phase extraction of benzoylurea insecticides in environmental water samples. ANALYTICA CHIMICA ACTA, [PMID:27506351] [10.1016/j.aca.2016.06.027] |
| 3. Xu Guo, Dandan Yang, Yu Su, Yanhua Chen, Jie Ding, Lan Ding, Daqian Song. (2024) High selectivity molecularly imprinted polymer based on short amylose as bio-based functional monomers for selective extraction of λ-cyhalothrin. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, [PMID:38795883] [10.1016/j.ijbiomac.2024.132566] |
| 4. Menghan Liu, Ruyu Zhang, Jie Wang, Huiting Zhang, Jingying Tan, Qingzhi Liu, Lei Han, Lihua Lu. (2025) Facilely Fabricating Bimetallic Ir/Co Nanozymes with High Oxidize-like Activities for Sensitive Detection of Malathion with Portable Swabs. ANALYTICAL CHEMISTRY, [PMID:40525265] [10.1021/acs.analchem.5c01779] |
