Naroparcil , CAS No.120819-70-7

CAS: 120819-70-7 Cat. No.: N1286948 Summenformel: C₁₉H₁₇NO₄S₂ Molekulargewicht: 387.5

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Specifications

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Namen und Kennungen

• Kanonisches Lächeln: C1[C@H]([C@@H]([C@H]([C@@H](S1)SC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)C#N)O)O)O
• IUPAC Name: 4-[4-[(2S,3R,4S,5S)-3,4,5-trihydroxythian-2-yl]sulfanylbenzoyl]benzonitrile
• InChIKey: IMAFEPKOGMHYNH-LULLPPNCSA-N
• INCHI: 1S/C19H17NO4S2/c20-9-11-1-3-12(4-2-11)16(22)13-5-7-14(8-6-13)26-19-18(24)17(23)15(21)10-25-19/h1-8,15,17-19,21,23-24H,10H2/t15-,17+,18-,19+/m1/s1
• Molekulargewicht: 387.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Diphenylmethanes Aryl-phenylketones Thiophenol ethers Benzoyl derivatives Benzonitriles Alkylarylthioethers Thianes Dithioacetals Secondary alcohols Sulfenyl compounds Polyols Nitriles Dialkylthioethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzophenone - Diphenylmethane - Aryl-phenylketone - Benzonitrile - Aryl thioether - Benzoyl - Thiophenol ether - Aryl ketone - Alkylarylthioether - Thiane - Thioacetal - Ketone - Secondary alcohol - Thioether - Organoheterocyclic compound - Sulfenyl compound - Polyol - Dialkylthioether - Carbonitrile - Nitrile - Organosulfur compound - Organonitrogen compound - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 387.500 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 387.06 Da
• Monoisotopic Mass: 387.06 Da
• Topological Polar Surface Area: 152.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 535.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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

Häufig gestellte Fragen

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 120819-70-7, the molecular formula is C19H17NO4S2, and the molecular weight is 387.5 g/mol. InChIKey IMAFEPKOGMHYNH-LULLPPNCSA-N.

What documentation is provided?

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