≥95%,≥99%(ee) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light,Argon charged Ships Wet ice 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 | 504772803 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504772803 |
| Canonical Smiles | CC(C)C(CNC(=S)NC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)N(C)C |
| IUPAC Name | 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(2S)-2-(dimethylamino)-3-methylbutyl]thiourea |
| InChIKey | HWIPDTNXZGWVLK-CYBMUJFWSA-N |
| INCHI | 1S/C16H21F6N3S/c1-9(2)13(25(3)4)8-23-14(26)24-12-6-10(15(17,18)19)5-11(7-12)16(20,21)22/h5-7,9,13H,8H2,1-4H3,(H2,23,24,26)/t13-/m1/s1 |
| Isomeric SMILES | CC(C)[C@@H](CNC(=S)NC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)N(C)C |
| PubChem CID | 102409848 |
| Molecular Weight | 401.4 |
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 →Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 I2305593 | Certificate of Analysis | Jun 15, 2026 | N281668 |
| I2305594 | Certificate of Analysis | Jun 15, 2026 | N281668 |
| I2305595 | Certificate of Analysis | Jun 15, 2026 | N281668 |
| I2305596 | Certificate of Analysis | Jun 15, 2026 | N281668 |
| Sensitivity | Light sensitive |
|---|---|
| Melt Point(°C) | 90-92°C |
| Molecular Weight | 401.400 g/mol |
| XLogP3 | 4.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 401.136 Da |
| Monoisotopic Mass | 401.136 Da |
| Topological Polar Surface Area | 59.400 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 442.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
![N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(2S)-2-(dimethylamino)-3-methylbutyl]thiourea - ≥95%,≥99%(ee) CAS No(1048692-60-9) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/N/2/N281668.png)