5-Bromothiazol-2-amine - ≥98% , CAS No.3034-22-8

CAS: 3034-22-8 Cat. No.: A123647 分子式: C₃H₃BrN₂S 分子量: 179.04 EC番号: 819-500-2

GRADE & PURITY ≥98%

Synonyms

5-bromo-2-aminothiazole | SCHEMBL344676 | AC-907/25004245 | 2-Amino-5- bromothiazole | 2-amino-5 -bromothiazole | 2-Thiazolamine, 5-bromo- | J-640438 | 5-bromo-2-Thiazolamine | A13655 | 5-Bromo-1,3-thiazol-2-amine # | FT-0611153 | 5-Bromo-thiazol-2-ylamin

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

同義語

5-bromo-2-aminothiazole | SCHEMBL344676 | AC-907/25004245 | 2-Amino-5- bromothiazole | 2-amino-5 -bromothiazole | 2-Thiazolamine, 5-bromo- | J-640438 | 5-bromo-2-Thiazolamine | A13655 | 5-Bromo-1,3-thiazol-2-amine # | FT-0611153 | 5-Bromo-thiazol-2-ylamin

仕様と純度

≥98%

保管条件

Protected from light,Store at -20°C,Argon charged

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

• パブケム・シド: 528761836
• カノニカル・スマイル: C1=C(SC(=N1)N)Br
• IUPAC Name: 5-bromo-1,3-thiazol-2-amine
• InChIKey: ARHCLXWELPFVFQ-UHFFFAOYSA-N
• INCHI: 1S/C3H3BrN2S/c4-2-1-6-3(5)7-2/h1H,(H2,5,6)
• 異性体SMILES: C1=C(SC(=N1)N)Br
• WGKドイツ: 3
• 分子量: 179.04
• Reaxy-Rn: 112073
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=112073&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Azoles
      • Subclass Thiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Azoles
• Subclass: Thiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,5-disubstituted thiazoles
• Alternative Parents: Aryl bromides 2-amino-1,3-thiazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,5-disubstituted 1,3-thiazole - 1,3-thiazol-2-amine - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as 2,5-disubstituted thiazoles. These are compounds containing a thiazole ring substituted at positions 2 and 5 only.
• 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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作用メカニズム

化学的性質と物理的性質

• 融点（°C）: 95-99°C
• 分子量: 179.040 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 177.92 Da
• Monoisotopic Mass: 177.92 Da
• Topological Polar Surface Area: 67.200 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 70.000
• 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