(2-Fluorphenyl)methanthiol - ≥95% , CAS No.72364-46-6

CAS: 72364-46-6 Cat. No.: M697922 Summenformel: C₇H₇FS Molekulargewicht: 142.19 EG-Nummer: 674-549-5 PubChem CID: 522175

GRADE & PURITY ≥95%

Synonyms

2-Fluorobenzyl mercaptan | O-Fluorobenzyl mercaptan | SCHEMBL854208

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonyme

2-Fluorobenzyl mercaptan | O-Fluorobenzyl mercaptan | SCHEMBL854208

Spezifikationen & Reinheit

≥95%

Storage

Store at 2-8°C,Protected from light

Verschickt in

Wet ice

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

Reinheit

≥95%

Namen und Kennungen

• Kanonisches Lächeln: C1=CC=C(C(=C1)CS)F
• IUPAC Name: (2-fluorophenyl)methanethiol
• InChIKey: UMJTYEUXQGJEIZ-UHFFFAOYSA-N
• INCHI: 1S/C7H7FS/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2
• Isomere SMILES: C1=CC=C(C(=C1)CS)F
• PubChem CID: 522175
• Molekulargewicht: 142.19

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorobenzenes
• Alternative Parents: Aryl fluorides Alkylthiols Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Fluorobenzene - Aryl halide - Aryl fluoride - Alkylthiol - Hydrocarbon derivative - Organosulfur compound - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.
• 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

• Empfindlichkeit: light sensitive
• Molekulargewicht: 142.200 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 142.025 Da
• Monoisotopic Mass: 142.025 Da
• Topological Polar Surface Area: 1.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 85.000
• 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