≥97% 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488191307 |
|---|---|
| Canonical Smiles | C1=CC(=CC(=C1)NC(=S)N)C(F)(F)F |
| IUPAC Name | [3-(trifluoromethyl)phenyl]thiourea |
| InChIKey | WKRUQAYFMKZMPJ-UHFFFAOYSA-N |
| INCHI | 1S/C8H7F3N2S/c9-8(10,11)5-2-1-3-6(4-5)13-7(12)14/h1-4H,(H3,12,13,14) |
| Isomeric SMILES | C1=CC(=CC(=C1)NC(=S)N)C(F)(F)F |
| PubChem CID | 735844 |
| Molecular Weight | 220.21 |
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 | N-phenylthioureas |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-phenylthioureas |
| Alternative Parents | Trifluoromethylbenzenes Thioureas Organopnictogen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Trifluoromethylbenzene - N-phenylthiourea - Thiourea - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-phenylthioureas. These are compounds containing a N-phenylthiourea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a thiourea 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 |
|---|---|---|---|
 E23171021 | Certificate of Analysis | Mar 10, 2026 | T419980 |
| E23171076 | Certificate of Analysis | Mar 10, 2026 | T419980 |
| E2317865 | Certificate of Analysis | Mar 10, 2026 | T419980 |
| E2317871 | Certificate of Analysis | Mar 10, 2026 | T419980 |
| E2317872 | Certificate of Analysis | Mar 10, 2026 | T419980 |
| E2317917 | Certificate of Analysis | Apr 18, 2023 | T419980 |
| G2524087 | Certificate of Analysis | Apr 18, 2023 | T419980 |
| Melt Point(°C) | 103-106℃ |
|---|---|
| Molecular Weight | 220.220 g/mol |
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 220.028 Da |
| Monoisotopic Mass | 220.028 Da |
| Topological Polar Surface Area | 70.100 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 217.000 |
| 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. Haoju Li, Yuhang Liang, Changzhong Wang, Guangli Liu, Huang Cheng, Raochen Xie, Longxiang Luo, Yannan Qian. (2025) Enhanced performance of carbon-based CsPbI2Br perovskite solar cells using interfacial modifiers. Sustainable Energy & Fuels, [PMID:] [10.1039/D5SE00106D] |
