1-(2-Bromophenyl)-2-thiourea - ≥98% , CAS No.5391-30-0

CAS: 5391-30-0 Cat. No.: B185081 Formula: C₇H₇BrN₂S Peso molecolare: 231.1 Numero EC: 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

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

(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

Specifiche e purezza

≥98%

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: 504761266
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761266
• Sorrisi canonici: 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)
• Isomeri SMILES: C1=CC=C(C(=C1)NC(=S)N)Br
• Peso molecolare: 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
• 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

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: light sensitive
• Punto di fusione (°C): 124-126℃
• Peso molecolare: 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

Domande frequenti

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.