1-(2-Bromophényl)-2-thiourée - ≥98% , CAS No.5391-30-0

CAS: 5391-30-0 Cat. No.: B185081 Formule: C₇H₇BrN₂S Poids moléculaire: 231.1 Numéro CE: 624-110-9

GRADE & PURITY ≥98%

Synonyms

(2-bromophenyl)thiourea | DTXSID80202186 | SCHEMBL11693811 | 1-(2-Bromophenyl)-2-thiourea | AKOS005202770 | CHEBI:120635 | F19866 | EN300-87357 | A829826 | QIGMVYSPXPXCPN-UHFFFAOYSA-N | FT-0611599 | 2-bromophenyl thiourea | MFCD00041146 | o-bromophenylthi

Storage

A conserver entre 2 et 8°C

Shipped In

Glace humide

Specifications

Synonymes

(2-bromophenyl)thiourea | DTXSID80202186 | SCHEMBL11693811 | 1-(2-Bromophenyl)-2-thiourea | AKOS005202770 | CHEBI:120635 | F19866 | EN300-87357 | A829826 | QIGMVYSPXPXCPN-UHFFFAOYSA-N | FT-0611599 | 2-bromophenyl thiourea | MFCD00041146 | o-bromophenylthi

Spécifications et pureté

≥98%

Conditions de stockage de stockage

A conserver entre 2 et 8°C

Expédié en

Glace humide

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 504761266
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761266
• Sourires canoniques: C1=CC=C(C(=C1)NC(=S)N)Br
• IUPAC Name: (2-bromophenyl)thiourea
• InChIKey: QIGMVYSPXPXCPN-UHFFFAOYSA-N
• INCHI: 1S/C7H7BrN2S/c8-5-3-1-2-4-6(5)10-7(9)11/h1-4H,(H3,9,10,11)
• Isomères SMILES: C1=CC=C(C(=C1)NC(=S)N)Br
• Poids moléculaire: 231.1
• Reaxy-Rn: 2718427
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2718427&ln=

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

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Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: light sensitive
• Point de fusion (°C): 124-126℃
• Poids moléculaire: 231.120 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 229.951 Da
• Monoisotopic Mass: 229.951 Da
• Topological Polar Surface Area: 70.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 151.000
• 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

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.