Naroparcil , CAS No.120819-70-7

CAS: 120819-70-7 Cat. No.: N1286948 Formula: C₁₉H₁₇NO₄S₂ Peso molecolare: 387.5

Storage

Room temperature

Shipped In

Normal

Specifiche

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Tipo di azione

INHIBITOR

Nomi e identificatori

Sorrisi canonici

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

Peso molecolare

387.5

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 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

Domande frequenti

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?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.