3-Benzylthiazolium Bromide - ≥98% , CAS No.75066-50-1

CAS: 75066-50-1 Cat. No.: B152741 Peso molecular: 256.16 Número EC: 678-048-2

GRADE & PURITY ≥98%

Synonyms

D88879 | 3-Benzylthiazolium Bromide | MFCD01631293 | 3-benzyl-1,3-thiazol-3-ium;bromide | 3-Benzylthiazol-3-ium bromide | B1939 | DTXSID70469382 | AKOS025394828 | 3-Benzylthiazolium Bromide , | SCHEMBL3934457 | 3-Benzylthiazol-3-iumbromide | Benzylthiazol

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

D88879 | 3-Benzylthiazolium Bromide | MFCD01631293 | 3-benzyl-1, 3-thiazol-3-ium;bromide | 3-Benzylthiazol-3-ium bromide | B1939 | DTXSID70469382 | AKOS025394828 | 3-Benzylthiazolium Bromide , | SCHEMBL3934457 | 3-Benzylthiazol-3-iumbromide | Benzylthiazol

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504766585
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766585
• Sonrisas canónicas: C1=CC=C(C=C1)C[N+]2=CSC=C2.[Br-]
• IUPAC Name: 3-benzyl-1,3-thiazol-3-ium;bromide
• InChIKey: BVVXTLWKNXVYDS-UHFFFAOYSA-M
• INCHI: 1S/C10H10NS.BrH/c1-2-4-10(5-3-1)8-11-6-7-12-9-11;/h1-7,9H,8H2;1H/q+1;/p-1
• Isómeros SMILES: C1=CC=C(C=C1)C[N+]2=CSC=C2.[Br-]
• Peso molecular: 256.16
• Reaxy-Rn: 3748432
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3748432&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Thiazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic bromide salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Monocyclic benzene moiety - Heteroaromatic compound - Thiazole - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organonitrogen compound - Organic cation - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

Propiedades químicas y físicas

• Sensibilidad: Hygroscopic
• Punto de fusión (°C): 158 °C
• Peso molecular: 256.160 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 254.972 Da
• Monoisotopic Mass: 254.972 Da
• Topological Polar Surface Area: 32.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 132.000
• 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: 2

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