Thiophen-2-amine - ≥95% , CAS No.616-46-6

CAS: 616-46-6 Cat. No.: T695274 分子式: C₄H₅NS 分子量: 99.16 PubChem CID: 97373

GRADE & PURITY ≥95%

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

仕様と純度

≥95%

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

≥95%

名前と識別子

• カノニカル・スマイル: C1=CSC(=C1)N
• IUPAC Name: thiophen-2-amine
• InChIKey: GLQWRXYOTXRDNH-UHFFFAOYSA-N
• INCHI: 1S/C4H5NS/c5-4-2-1-3-6-4/h1-3H,5H2
• 異性体SMILES: C1=CSC(=C1)N
• PubChem CID: 97373
• 分子量: 99.16

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Thiophenes
      • Subclass Aminothiophenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Thiophenes
• Subclass: Aminothiophenes
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-aminothiophenes
• Alternative Parents: Heteroaromatic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-aminothiophene - Heteroaromatic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as 2-aminothiophenes. These are organic compounds containing an amino group conjugated to a thiophene ring at the 2-position.
• 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

作用メカニズム

化学的性質と物理的性質

• 分子量: 99.160 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 99.0143 Da
• Monoisotopic Mass: 99.0143 Da
• Topological Polar Surface Area: 54.300 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 46.800
• 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