≥95%(HPLC)(T) 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 | 488194105 |
|---|---|
| Canonical Smiles | C1=CC=C(C=C1)N2C(=O)C(NC2=S)CCC(=O)O |
| IUPAC Name | 3-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)propanoic acid |
| InChIKey | ULKNJYDXLYMGFB-UHFFFAOYSA-N |
| INCHI | 1S/C12H12N2O3S/c15-10(16)7-6-9-11(17)14(12(18)13-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,18)(H,15,16) |
| Isomeric SMILES | C1=CC=C(C=C1)N2C(=O)C(NC2=S)CCC(=O)O |
| RTECS | NI9570000 |
| PubChem CID | 2872155 |
| Molecular Weight | 264.3 |
| Reaxy-Rn | 384875 |
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 Imidazolidinones Thioureas Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylimidazolidine - Alpha-amino acid or derivatives - N-phenylthiourea - Monocyclic benzene moiety - Imidazolidinone - Benzenoid - Thiourea - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Carbonyl group - Aromatic heteromonocyclic 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 |
| Solubility | Solubility (soluble in) Methanol |
|---|---|
| Melt Point(°C) | 175 °C |
| Molecular Weight | 264.300 g/mol |
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 264.057 Da |
| Monoisotopic Mass | 264.057 Da |
| Topological Polar Surface Area | 102.000 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 366.000 |
| 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 |
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