≥98%(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 | 504770447 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504770447 |
| Canonical Smiles | C1=CC=C(C=C1)N2C(=O)C(NC2=S)CCCN=C(N)N.Cl |
| IUPAC Name | 2-[3-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)propyl]guanidine;hydrochloride |
| InChIKey | IXKPSQGERWCHMF-UHFFFAOYSA-N |
| INCHI | 1S/C13H17N5OS.ClH/c14-12(15)16-8-4-7-10-11(19)18(13(20)17-10)9-5-2-1-3-6-9;/h1-3,5-6,10H,4,7-8H2,(H,17,20)(H4,14,15,16);1H |
| Isomeric SMILES | C1=CC=C(C=C1)N2C(=O)C(NC2=S)CCCN=C(N)N.Cl |
| PubChem CID | 44630443 |
| Molecular Weight | 327.83 |
| Reaxy-Rn | 3777997 |
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 Tertiary amines Guanidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylimidazolidine - Alpha-amino acid or derivatives - N-phenylthiourea - Monocyclic benzene moiety - Imidazolidinone - Benzenoid - Amino acid or derivatives - Guanidine - Tertiary amine - Thiourea - Carboxylic acid derivative - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organonitrogen compound - Hydrochloride - Amine - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 H2112355 | Certificate of Analysis | May 12, 2025 | P160439 |
| H2112354 | Certificate of Analysis | May 12, 2025 | P160439 |
| H2112351 | Certificate of Analysis | May 12, 2025 | P160439 |
| H2112356 | Certificate of Analysis | May 12, 2025 | P160439 |
| Melt Point(°C) | 188℃ |
|---|---|
| Molecular Weight | 327.830 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 327.092 Da |
| Monoisotopic Mass | 327.092 Da |
| Topological Polar Surface Area | 129.000 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 402.000 |
| 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 | 2 |
