2-(4-Bromophenyl)benzothiazole - ≥98%(HPLC) , CAS No.19654-19-4

CAS: 19654-19-4 Cat. No.: B152750 Summenformel: C₁₃H₈BrNS Molekulargewicht: 290.18 EG-Nummer: 687-509-7

GRADE & PURITY ≥98%(HPLC)

Synonyms

2-(4-bromophenyl)benzo[d]thiazole | AC-27911 | SCHEMBL4152344 | SCHEMBL1448988 | 2-(4-bromophenyl)-1,3-benzothiazole | Z50128963 | B2679 | F18751 | Benzothiazole,2-(4-bromophenyl)- | MFCD00579199 | FQIRBKKYMJKENC-UHFFFAOYSA-N | A813858 | 1-(2-Benzothiazol

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

2-(4-bromophenyl)benzo[d]thiazole | AC-27911 | SCHEMBL4152344 | SCHEMBL1448988 | 2-(4-bromophenyl)-1,3-benzothiazole | Z50128963 | B2679 | F18751 | Benzothiazole,2-(4-bromophenyl)- | MFCD00579199 | FQIRBKKYMJKENC-UHFFFAOYSA-N | A813858 | 1-(2-Benzothiazol

Spezifikationen & Reinheit

≥98%(HPLC)

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%(HPLC)

Namen und Kennungen

• Pubchem Sid: 504760714
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760714
• Kanonisches Lächeln: C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)Br
• IUPAC Name: 2-(4-bromophenyl)-1,3-benzothiazole
• InChIKey: FQIRBKKYMJKENC-UHFFFAOYSA-N
• INCHI: 1S/C13H8BrNS/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8H
• Isomere SMILES: C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)Br
• WGK Deutschland: 3
• Molekulargewicht: 290.18
• Reaxy-Rn: 611323
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=611323&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Benzothiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Benzothiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzothiazoles
• Alternative Parents: Bromobenzenes Aryl bromides Thiazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,3-benzothiazole - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Azacycle - Organobromide - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organohalogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
• 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

Zugehörige Ziele (nicht menschlich)

Gusb Beta-glucuronidase (17 Activities)

Discover Target: Gusb

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Toluene
• Schmelzpunkt (°C): 134 °C
• Molekulargewicht: 290.180 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 288.956 Da
• Monoisotopic Mass: 288.956 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 240.000
• 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