Imb-10 , CAS No.307525-40-2

CAS: 307525-40-2 Cat. No.: I1046007 Summenformel: C₁₉H₁₅NOS₂ Molekulargewicht: 337.46 EG-Nummer: 695-505-1 PubChem CID: 1555648

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

INHIBITOR

Namen und Kennungen

• Kanonisches Lächeln: CC1=CC=CC=C1N2C(=O)C(=CC=CC3=CC=CC=C3)SC2=S
• IUPAC Name: (5Z)-3-(2-methylphenyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
• InChIKey: UYZLENPCNZVWQZ-DNZSEPECSA-N
• INCHI: 1S/C19H15NOS2/c1-14-8-5-6-12-16(14)20-18(21)17(23-19(20)22)13-7-11-15-9-3-2-4-10-15/h2-13H,1H3/b11-7+,17-13-
• Isomere SMILES: CC1=CC=CC=C1N2C(=O)/C(=C/C=C/C3=CC=CC=C3)/SC2=S
• WGK Deutschland: 3
• PubChem CID: 1555648
• Molekulargewicht: 337.46

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Styrenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Styrenes
• Alternative Parents: Toluenes Thiazolidinethiones Carboxylic acids and derivatives Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Styrene - Toluene - Thiazolidinethione - Thiazolidine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as styrenes. These are organic compounds containing an ethenylbenzene moiety.
• 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: 337.500 g/mol
• XLogP3: 5.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 337.06 Da
• Monoisotopic Mass: 337.06 Da
• Topological Polar Surface Area: 77.700 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 519.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1