1-(4-Bromo-2-fluorophényl)thiourée - ≥97% , CAS No.930396-07-9

CAS: 930396-07-9 Cat. No.: B188360 Formule: C₇H₆BrFN₂S Poids moléculaire: 249.1 Numéro CE: 103-788-5 PubChem CID: 16228931

GRADE & PURITY ≥97%

Synonyms

EN300-87378 | BS-22626 | (4-bromo-2-fluorophenyl)thiourea | 1-(4-Bromo-2-fluorophenyl)thiourea | N-(4-bromo-2-fluorophenyl)thiourea | AKOS009140749 | DTXSID10585555 | MFCD09702294

Storage

Température ambiante

Shipped In

Normal

Specifications

Synonymes

EN300-87378 | BS-22626 | (4-bromo-2-fluorophenyl)thiourea | 1-(4-Bromo-2-fluorophenyl)thiourea | N-(4-bromo-2-fluorophenyl)thiourea | AKOS009140749 | DTXSID10585555 | MFCD09702294

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Température ambiante

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

• Sourires canoniques: C1=CC(=C(C=C1Br)F)NC(=S)N
• IUPAC Name: (4-bromo-2-fluorophenyl)thiourea
• InChIKey: GOWRWGYTXLKMHG-UHFFFAOYSA-N
• INCHI: 1S/C7H6BrFN2S/c8-4-1-2-6(5(9)3-4)11-7(10)12/h1-3H,(H3,10,11,12)
• Isomères SMILES: C1=CC(=C(C=C1Br)F)NC(=S)N
• PubChem CID: 16228931
• Poids moléculaire: 249.1

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 Bromobenzenes Aryl fluorides Aryl bromides Thioureas Organopnictogen compounds Organonitrogen compounds Organofluorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: N-phenylthiourea - Bromobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Thiourea - Organic nitrogen compound - Organohalogen compound - Organobromide - Organofluoride - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic homomonocyclic compound
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 249.110 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 247.942 Da
• Monoisotopic Mass: 247.942 Da
• Topological Polar Surface Area: 70.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 179.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 930396-07-9, the molecular formula is C7H6BrFN2S, and the molecular weight is 249.1 g/mol. InChIKey GOWRWGYTXLKMHG-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.