U 19963 - ≥98% , CAS No.404-52-4

CAS: 404-52-4 Cat. No.: U412273 分子式: C₁₃H₁₀F₂N₂S 分子量: 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

概要

Information

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

Specifications

同義語

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

仕様と純度

≥98%

生化学的・生理学的メカニズム

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

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

パブケム・シド

508807047

カノニカル・スマイル

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)

異性体SMILES

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

PubChem CID

2826649

分子量

264.3

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 分子量: 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