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· · COA & SDS available for every product · Same-day shipping on in-stock items Phenylthiohydantoin-aspartic Acid - ≥95% , CAS No.5624-13-5
Synonyms
['3-Phenyl-2-thiohydantoin-5-acetic Acid', 'PTH-aspartic Acid']
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Why this grade ≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
['3-Phenyl-2-thiohydantoin-5-acetic Acid', 'PTH-aspartic Acid']
Specifications & Purity
≥95%
Names and Identifiers Pubchem Sid 488194104 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488194104 Canonical Smiles C1=CC=C(C=C1)N2C(=O)C(NC2=S)CC(=O)O IUPAC Name 2-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)acetic acid InChIKey NFUCNAREVSTFNC-UHFFFAOYSA-N INCHI 1S/C11H10N2O3S/c14-9(15)6-8-10(16)13(11(17)12-8)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,17)(H,14,15) Isomeric SMILES C1=CC=C(C=C1)N2C(=O)C(NC2=S)CC(=O)O RTECS NI8720800 PubChem CID 2871997 Molecular Weight 250.27 Reaxy-Rn 241123
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification 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 Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 250.280 g/mol XLogP3 0.800 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 3 Exact Mass 250.041 Da Monoisotopic Mass 250.041 Da Topological Polar Surface Area 102.000 Ų Heavy Atom Count 17 Formal Charge 0 Complexity 353.000 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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