≥98%(HPLC)(N) 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 | 488194106 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488194106 |
| Canonical Smiles | C1=CC=C(C=C1)N2C(=O)C(NC2=S)CC3=CNC4=CC=CC=C43 |
| IUPAC Name | 5-(1H-indol-3-ylmethyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one |
| InChIKey | KZXRWWVROVHSPI-UHFFFAOYSA-N |
| INCHI | 1S/C18H15N3OS/c22-17-16(10-12-11-19-15-9-5-4-8-14(12)15)20-18(23)21(17)13-6-2-1-3-7-13/h1-9,11,16,19H,10H2,(H,20,23) |
| Isomeric SMILES | C1=CC=C(C=C1)N2C(=O)C(NC2=S)CC3=CNC4=CC=CC=C43 |
| PubChem CID | 2872164 |
| Molecular Weight | 321.4 |
| Reaxy-Rn | 316689 |
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 | Azolidines |
| Subclass | Imidazolidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylimidazolidines |
| Alternative Parents | N-phenylthioureas Alpha amino acids and derivatives 3-alkylindoles Substituted pyrroles Imidazolidinones Heteroaromatic compounds Thioureas Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylimidazolidine - Alpha-amino acid or derivatives - N-phenylthiourea - 3-alkylindole - Indole - Indole or derivatives - Benzenoid - Monocyclic benzene moiety - Substituted pyrrole - Imidazolidinone - Heteroaromatic compound - Pyrrole - Thiourea - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylimidazolidines. These are polycyclic compounds containing an imidazoline substituted by 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 |
|---|---|---|---|
 J2112250 | Certificate of Analysis | Jul 10, 2025 | P160401 |
| J2112643 | Certificate of Analysis | Jul 10, 2025 | P160401 |
| J2112644 | Certificate of Analysis | Jul 10, 2025 | P160401 |
| L2417109 | Certificate of Analysis | May 22, 2021 | P160401 |
| Melt Point(°C) | 183 °C |
|---|---|
| Molecular Weight | 321.400 g/mol |
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 321.094 Da |
| Monoisotopic Mass | 321.094 Da |
| Topological Polar Surface Area | 80.200 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 477.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
