4-Fluorothiobenzamide - ≥97% , CAS No.22179-72-2

CAS: 22179-72-2 Cat. No.: F168715 Formula: C₇H₆FNS Peso molecolare: 155.19 Numero EC: 244-820-9

QUALITÀ & PUREZZA ≥97%

Synonyms

F3284-7866 | EN300-09199 | DTXSID60176715 | p-fluorothiobenzamide | AKOS000206453 | 4-FLUOROBENZENE-1-CARBOTHIOAMIDE | 4-Fluorothiobenzamide | 4-fluoro-thiobenzamide | 4-fluoro(thiobenzamide) | 2T-0908 | CHEBI:194797 | J-014568 | 4-fluoro-1-benzenecarboth

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifiche

Sinonimi

F3284-7866 | EN300-09199 | DTXSID60176715 | p-fluorothiobenzamide | AKOS000206453 | 4-FLUOROBENZENE-1-CARBOTHIOAMIDE | 4-Fluorothiobenzamide | 4-fluoro-thiobenzamide | 4-fluoro(thiobenzamide) | 2T-0908 | CHEBI:194797 | J-014568 | 4-fluoro-1-benzenecarboth

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥97%

Nomi e identificatori

Sorrisi canonici

C1=CC(=CC=C1C(=S)N)F

IUPAC Name

4-fluorobenzenecarbothioamide

InChIKey

VQFOHZWOKJQOGO-UHFFFAOYSA-N

INCHI

1S/C7H6FNS/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)

Isomeri SMILES

C1=CC(=CC=C1C(=S)N)F

Peso molecolare

155.19

Reaxy-Rn

2961538

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2961538&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorobenzenes
• Alternative Parents: Aryl fluorides Thioamides Thiocarboxylic acid amides Thiocarbonyl compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Fluorobenzene - Aryl halide - Aryl fluoride - Thioamide - Thiocarboxylic acid amide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Thiocarbonyl group - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
• Descrizione: 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): 146°C to 150°C
• Peso molecolare: 155.190 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 155.02 Da
• Monoisotopic Mass: 155.02 Da
• Topological Polar Surface Area: 58.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 130.000
• 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