2-Piperidinothiazole - ≥97% , CAS No.4175-70-6

CAS: 4175-70-6 Cat. No.: P728243 分子式: C₈H₁₂N₂S 分子量: 168.26 PubChem CID: 15110477

GRADE & PURITY ≥97%

Synonyms

1-(1,3-Thiazol-2-yl)piperidine

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

同義語

1-(1,3-Thiazol-2-yl)piperidine

仕様と純度

≥97%

保管条件

Store at 2-8°C

入荷

Wet ice

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

≥97%

名前と識別子

カノニカル・スマイル

C1CCN(CC1)C2=NC=CS2

IUPAC Name

2-piperidin-1-yl-1,3-thiazole

InChIKey

XSHHZEANTJNOHO-UHFFFAOYSA-N

INCHI

1S/C8H12N2S/c1-2-5-10(6-3-1)8-9-4-7-11-8/h4,7H,1-3,5-6H2

異性体SMILES

C1CCN(CC1)C2=NC=CS2

PubChem CID

15110477

分子量

168.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • 分類 Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Tertiary alkylarylamines
            • Level7 Dialkylarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 分類: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines - Tertiary alkylarylamines
• Direct Parent: Dialkylarylamines
• Alternative Parents: Piperidines 2-amino-1,3-thiazoles Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dialkylarylamine - 1,3-thiazol-2-amine - Piperidine - Heteroaromatic compound - Thiazole - Azole - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic 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

化学的性質と物理的性質

• 感度: Moisture sensitive
• 分子量: 168.260 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 168.072 Da
• Monoisotopic Mass: 168.072 Da
• Topological Polar Surface Area: 44.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 123.000
• 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