2-(Trifluoromethyl)thioxanthen-9-one - ≥98% , CAS No.1693-28-3

CAS: 1693-28-3 Cat. No.: T102694 Peso molecular: 280.26 Beilstein Registry Number: 17(5)10,465 Número EC: 216-893-7 PubChem CID: 74324

GRADE & PURITY ≥98%

Synonyms

Thioxanthen-9-one, 2-(trifluoromethyl)- | AMY32511 | 112GI002 | 7J4R9HK2QN | 9H-Thioxanthen-9-one, 2-(trifluoromethyl)- | AKOS015852798 | CCG-51589 | PD055610 | 2-(Trifluoromethyl)-9H-thioxanthen-9-one | MFCD00079785 | SR-01000640881-1 | 2-(Trifluoromethy

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

Product Introduction

This product is provided as delivered and specified by the issuing Pharmacopoeia. All information provided in support of this product, including SDS and any product information leaflets have been developed and issued under the Authority of the issuing Pharmacopoeia. For further information and support please go to the website of the issuing Pharmacopoeia.

Specifications

Sinónimos

Thioxanthen-9-one, 2-(trifluoromethyl)- | AMY32511 | 112GI002 | 7J4R9HK2QN | 9H-Thioxanthen-9-one, 2-(trifluoromethyl)- | AKOS015852798 | CCG-51589 | PD055610 | 2-(Trifluoromethyl)-9H-thioxanthen-9-one | MFCD00079785 | SR-01000640881-1 | 2-(Trifluoromethy

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504754799
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754799
• Sonrisas canónicas: C1=CC=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)C(F)(F)F
• IUPAC Name: 2-(trifluoromethyl)thioxanthen-9-one
• InChIKey: NEWRXGDGZGIHIS-UHFFFAOYSA-N
• INCHI: 1S/C14H7F3OS/c15-14(16,17)8-5-6-12-10(7-8)13(18)9-3-1-2-4-11(9)19-12/h1-7H
• Isómeros SMILES: C1=CC=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)C(F)(F)F
• WGK Alemania: 3
• PubChem CID: 74324
• Peso molecular: 280.26
• Beilstein: 17(5)10,465
• Reaxy-Rn: 1583738

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Thiochromenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Thiochromenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiochromenes
• Alternative Parents: 1-benzothiopyrans Benzenoids Heteroaromatic compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Thiochromene - 1-benzothiopyran - Benzothiopyran - Benzenoid - Heteroaromatic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as thiochromenes. These are organosulfur compounds that are analogues to chromene, with the difference that a sulfur atom replaces the oxygen atom.
• 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

Propiedades químicas y físicas

• Solubilidad: Soluble in Toluene
• Sensibilidad: Light Sensitive
• Punto de fusión (°C): 147-151°C
• Peso molecular: 280.270 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 280.017 Da
• Monoisotopic Mass: 280.017 Da
• Topological Polar Surface Area: 42.400 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 368.000
• 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