3-Ethylbenzothiazolium Bromide - ≥98%(HPLC)(T) , CAS No.32446-47-2

CAS: 32446-47-2 Cat. No.: E156183 Summenformel: C₉H₁₀BrNS Molekulargewicht: 244.15

GRADE & PURITY ≥98%(HPLC)(T)

Synonyms

3-ethyl-1,3-benzothiazol-3-ium;bromide | 3-ethyl-1,3-benzothiazol-3-ium bromide | E0395 | 3-Ethylbenzo[d]thiazol-3-ium bromide | 3-Ethylbenzo[d]thiazol-3-iumbromide | AS-60164 | MFCD00051852 | FT-0615663 | Benzothiazolium, 3-ethyl-, bromide (1:1) | 3-Ethy

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

3-ethyl-1,3-benzothiazol-3-ium;bromide | 3-ethyl-1,3-benzothiazol-3-ium bromide | E0395 | 3-Ethylbenzo[d]thiazol-3-ium bromide | 3-Ethylbenzo[d]thiazol-3-iumbromide | AS-60164 | MFCD00051852 | FT-0615663 | Benzothiazolium, 3-ethyl-, bromide (1:1) | 3-Ethy

Spezifikationen & Reinheit

≥98%(HPLC)(T)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(HPLC)(T)

Namen und Kennungen

• Pubchem Sid: 488188523
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188523
• Kanonisches Lächeln: CC[N+]1=CSC2=CC=CC=C21.[Br-]
• IUPAC Name: 3-ethyl-1,3-benzothiazol-3-ium;bromide
• InChIKey: XBWYYTURPBHPFJ-UHFFFAOYSA-M
• INCHI: 1S/C9H10NS.BrH/c1-2-10-7-11-9-6-4-3-5-8(9)10;/h3-7H,2H2,1H3;1H/q+1;/p-1
• Isomere SMILES: CC[N+]1=CSC2=CC=CC=C21.[Br-]
• Molekulargewicht: 244.15
• Reaxy-Rn: 6250086
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6250086&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: Benzenoids Thiazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic bromide salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,3-benzothiazole - Benzenoid - Heteroaromatic compound - Thiazole - Azole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organonitrogen 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Hygroscopic
• Molekulargewicht: 244.150 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 242.972 Da
• Monoisotopic Mass: 242.972 Da
• Topological Polar Surface Area: 32.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 138.000
• 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

XLogP3

Häufig gestellte Fragen

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. 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 32446-47-2, the molecular formula is C9H10BrNS, and the molecular weight is 244.15 g/mol. InChIKey XBWYYTURPBHPFJ-UHFFFAOYSA-M.

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.