2-Thiohydantoin - ≥99% , CAS No.503-87-7

CAS: 503-87-7 Cat. No.: T135932 Summenformel: C₃H₄N₂OS Molekulargewicht: 116.14 EG-Nummer: 207-977-4 PubChem CID: 1274030

GRADE & PURITY ≥99%

Synonyms

USAF BE-25 | 2-Thioxo-4-imidazolidinone # | MFCD00005277 | VS-14145 | s5613 | SCHEMBL17153849 | 2-sulfanylideneimidazolidin-4-one | 2-thioxoimidazolidin-4-one | DTXSID2060121 | BRN 0110599 | AKOS017268991 | EN300-17269 | HY-W012896 | SCHEMBL27418 | 2-Thio

Storage

Room temperature

Shipped In

Normal

Übersicht

2-Thiohydantoin is an inhibitor of Flg and a reactant for persilylation.
Reactant for synthesis of:Drugs with antidiabetic activity; Barbituric acid and thiohydantoin derivatives with antimicrobial activity; Possible anticancer agents; Fibroblast growth factor receptor 1 kinase inhibitors; HIV-1 integrase inhibitors; Reactant for persilylation

Specifications

Synonyme

USAF BE-25 | 2-Thioxo-4-imidazolidinone # | MFCD00005277 | VS-14145 | s5613 | SCHEMBL17153849 | 2-sulfanylideneimidazolidin-4-one | 2-thioxoimidazolidin-4-one | DTXSID2060121 | BRN 0110599 | AKOS017268991 | EN300-17269 | HY-W012896 | SCHEMBL27418 | 2-Thio

Spezifikationen & Reinheit

≥99%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥99%

Namen und Kennungen

• Pubchem Sid: 504760453
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760453
• Kanonisches Lächeln: C1C(=O)NC(=S)N1
• IUPAC Name: 2-sulfanylideneimidazolidin-4-one
• InChIKey: UGWULZWUXSCWPX-UHFFFAOYSA-N
• INCHI: 1S/C3H4N2OS/c6-2-1-4-3(7)5-2/h1H2,(H2,4,5,6,7)
• Isomere SMILES: C1C(=O)NC(=S)N1
• WGK Deutschland: 3
• RTECS: MU4200000
• PubChem CID: 1274030
• Molekulargewicht: 116.14

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Amino acids and derivatives
          • Ebene6 Alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Imidazolidinones Thioureas Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - Imidazolidinone - Imidazolidine - Thiourea - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Aliphatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• 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.

DOI: 10.1186/s13321-016-0174-y

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Discover Target: QPCT

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PYGM Glycogen phosphorylase, muscle form (1331 Activities)

Discover Target: PYGM

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in 1N NH4OH (50 mg/ml). Insoluble in water.
• Schmelzpunkt (°C): 229-231°C
• Molekulargewicht: 116.140 g/mol
• XLogP3: -1.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 116.004 Da
• Monoisotopic Mass: 116.004 Da
• Topological Polar Surface Area: 73.200 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 122.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1