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· · COA & SDS available for every product · Same-day shipping on in-stock items Phenylthiohydantoin-proline - ≥98% , CAS No.4333-21-5
Synonyms
HMS1781H05 | NSC 370871 | DTXSID00275953 | MLS001163822 | Hexahydro-2-phenyl-3-thioxo-1H-pyrrolo[1,2-c]imidazol-1-one | NSC370871 | NSC-370871 | P0729 | NSC96411 | NSC-96411 | AKOS016321570 | CCG-18195 | PTH-proline | STK261357 | Hexahydro-2-phenyl-3-thio
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Why this grade ≥98% 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
HMS1781H05 | NSC 370871 | DTXSID00275953 | MLS001163822 | Hexahydro-2-phenyl-3-thioxo-1H-pyrrolo[1, 2-c]imidazol-1-one | NSC370871 | NSC-370871 | P0729 | NSC96411 | NSC-96411 | AKOS016321570 | CCG-18195 | PTH-proline | STK261357 | Hexahydro-2-phenyl-3-thio
Specifications & Purity
≥98%
Names and Identifiers Pubchem Sid 488187220 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488187220 Canonical Smiles C1CC2C(=O)N(C(=S)N2C1)C3=CC=CC=C3 IUPAC Name 2-phenyl-3-sulfanylidene-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-1-one InChIKey YNJJBMAKBUZCKN-UHFFFAOYSA-N INCHI 1S/C12H12N2OS/c15-11-10-7-4-8-13(10)12(16)14(11)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2 Isomeric SMILES C1CC2C(=O)N(C(=S)N2C1)C3=CC=CC=C3 PubChem CID 100798 Molecular Weight 232.3 Reaxy-Rn 210421
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 Pyrrolidines 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 - Monocyclic benzene moiety - Imidazolidinone - Benzenoid - Pyrrolidine - Thiourea - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - 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 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 Melt Point(°C) 177.0 - 181.0 °C Molecular Weight 232.300 g/mol XLogP3 2.000 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 1 Exact Mass 232.067 Da Monoisotopic Mass 232.067 Da Topological Polar Surface Area 55.600 Ų Heavy Atom Count 16 Formal Charge 0 Complexity 325.000 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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