U 19963 - ≥98% , CAS No.404-52-4

CAS: 404-52-4 Cat. No.: U412273 Formula: C₁₃H₁₀F₂N₂S Peso molecolare: 264.3 PubChem CID: 2826649

GRADE & PURITY ≥98%

Synonyms

BBL038117 | EN300-230523 | 1,3-Bis(p-fluorophenyl)thiourea | 4,4'-Difluorothiocarbanilide | STK347599 | DTXSID30385099 | N,N'-Bis(4-fluorophenyl)thiourea | Thiourea,N'-bis(4-fluorophenyl)- | MFCD00123965 | SCHEMBL10099725 | Urea,3-bis(p-fluorophenyl)-2-th

Storage

Store at 2-8°C

Shipped In

Wet ice

Panoramica

Information

U 19963 (1,3-Bis(4-fluorophenyl)thiourea) is a bioactive compound.

Specifications

Sinonimi

BBL038117 | EN300-230523 | 1,3-Bis(p-fluorophenyl)thiourea | 4,4'-Difluorothiocarbanilide | STK347599 | DTXSID30385099 | N,N'-Bis(4-fluorophenyl)thiourea | Thiourea,N'-bis(4-fluorophenyl)- | MFCD00123965 | SCHEMBL10099725 | Urea,3-bis(p-fluorophenyl)-2-th

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

U 19963 (1,3-Bis(4-fluorophenyl)thiourea)\xa0is a bioactive compound.

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

≥98%

Nomi e identificatori

Pubchem Sid

508807047

Sorrisi canonici

C1=CC(=CC=C1NC(=S)NC2=CC=C(C=C2)F)F

IUPAC Name

1,3-bis(4-fluorophenyl)thiourea

InChIKey

SNQABJUAAUNSEJ-UHFFFAOYSA-N

INCHI

1S/C13H10F2N2S/c14-9-1-5-11(6-2-9)16-13(18)17-12-7-3-10(15)4-8-12/h1-8H,(H2,16,17,18)

Isomeri SMILES

C1=CC(=CC=C1NC(=S)NC2=CC=C(C=C2)F)F

PubChem CID

2826649

Peso molecolare

264.3

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass N-phenylthioureas

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: N-phenylthioureas
• Intermediate Tree Nodes: Not available
• Direct Parent: N-phenylthioureas
• Alternative Parents: Fluorobenzenes Aryl fluorides Thioureas Organopnictogen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: N-phenylthiourea - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Thiourea - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as n-phenylthioureas. These are compounds containing a N-phenylthiourea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a thiourea group.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 264.300 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 264.053 Da
• Monoisotopic Mass: 264.053 Da
• Topological Polar Surface Area: 56.200 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 246.000
• 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