3,5-Difluorobenzenethiol - ≥95% , CAS No.99389-26-1

CAS: 99389-26-1 Cat. No.: D590898 Summenformel: C₆H₄F₂S Molekulargewicht: 146.15 EG-Nummer: 675-532-5

GRADE & PURITY ≥95%

Synonyms

STL557394 | EN300-673748 | DTXSID40374297 | AKOS005256319 | 3,5-difluorothiophenol, AldrichCPR | 3,5-difluorobenzenethiol | 3,5-DIFLUORO-BENZENETHIOL | FT-0735208 | 3,5-Difluorophenyl mercaptan | 3,5-Difluoro Thiophenol | BBL103584 | 3,5-Difluorothiopheno

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

STL557394 | EN300-673748 | DTXSID40374297 | AKOS005256319 | 3,5-difluorothiophenol, AldrichCPR | 3,5-difluorobenzenethiol | 3,5-DIFLUORO-BENZENETHIOL | FT-0735208 | 3,5-Difluorophenyl mercaptan | 3,5-Difluoro Thiophenol | BBL103584 | 3,5-Difluorothiopheno

Spezifikationen & Reinheit

≥95%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

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

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

508808663

Kanonisches Lächeln

C1=C(C=C(C=C1F)S)F

IUPAC Name

3,5-difluorobenzenethiol

InChIKey

LFYVNHDFVIPZHV-UHFFFAOYSA-N

INCHI

1S/C6H4F2S/c7-4-1-5(8)3-6(9)2-4/h1-3,9H

Isomere SMILES

C1=C(C=C(C=C1F)S)F

Molekulargewicht

146.15

Reaxy-Rn

5496844

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5496844&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Thiophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Thiophenols
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiophenols
• Alternative Parents: Fluorobenzenes Aryl fluorides Thiols Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Thiophenol - Halobenzene - Fluorobenzene - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Arylthiol - Hydrocarbon derivative - Organosulfur compound - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as thiophenols. These are compounds containing a thiophenol ring, which a phenol derivative obtained by replacing the oxygen atom from the hydroxyl group (attached to the benzene) by a sulfur 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 146.160 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 146 Da
• Monoisotopic Mass: 146 Da
• Topological Polar Surface Area: 1.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 87.100
• 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