5-Bromoisothiazole - ≥95% , CAS No.54390-97-5

CAS: 54390-97-5 Cat. No.: B589427 Summenformel: C₃H₂NSBr Molekulargewicht: 164.03 EG-Nummer: 818-471-3

GRADE & PURITY ≥95%

Synonyms

STL433100 | DTXSID40505009 | EN300-103015 | AT21099 | SB37604 | Isothiazole, 5-bromo- | MFCD11110322 | SY139079 | A18883 | AKOS006309556 | SCHEMBL3503301 | 5-Bromo-1,2-thiazole | W-203049 | FT-0604341 | 5-Bromoisothiazole | 5-Bromo-isothiazole | 5-bromois

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

STL433100 | DTXSID40505009 | EN300-103015 | AT21099 | SB37604 | Isothiazole, 5-bromo- | MFCD11110322 | SY139079 | A18883 | AKOS006309556 | SCHEMBL3503301 | 5-Bromo-1,2-thiazole | W-203049 | FT-0604341 | 5-Bromoisothiazole | 5-Bromo-isothiazole | 5-bromois

Spezifikationen & Reinheit

≥95%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

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

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

508810007

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508810007

Kanonisches Lächeln

C1=C(SN=C1)Br

IUPAC Name

5-bromo-1,2-thiazole

InChIKey

XNONRNKAYRHZDJ-UHFFFAOYSA-N

INCHI

1S/C3H2BrNS/c4-3-1-2-5-6-3/h1-2H

Isomere SMILES

C1=C(SN=C1)Br

Alternative CAS-Nummer

54390-97-5

Molekulargewicht

164.03

Reaxy-Rn

506733

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506733&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Klasse Aryl halides
      • Subclass Aryl bromides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Klasse: Aryl halides
• Subclass: Aryl bromides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aryl bromides
• Alternative Parents: Thiazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl bromide - Heteroaromatic compound - Thiazole - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as aryl bromides. These are organic compounds containing the acyl bromide functional 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 164.030 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 162.909 Da
• Monoisotopic Mass: 162.909 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 50.100
• 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