Tiprenolol - ≥95% , CAS No.26481-51-6

CAS: 26481-51-6 Cat. No.: T1357211 分子式: C₁₃H₂₁NO₂S 分子量: 255.38 EC番号: 963-581-8

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

仕様と純度

≥95%

保管条件

Room temperature

入荷

Normal

アクションタイプ

ANTAGONIST

純度

≥95%

名前と識別子

• カノニカル・スマイル: CC(C)NCC(COC1=CC=CC=C1SC)O
• IUPAC Name: 1-(2-methylsulfanylphenoxy)-3-(propan-2-ylamino)propan-2-ol
• InChIKey: CSUNLSYSEQIDMO-UHFFFAOYSA-N
• INCHI: 1S/C13H21NO2S/c1-10(2)14-8-11(15)9-16-12-6-4-5-7-13(12)17-3/h4-7,10-11,14-15H,8-9H2,1-3H3
• 分子量: 255.38

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Thiophenol ethers Phenoxy compounds Alkylarylthioethers Alkyl aryl ethers Secondary alcohols 1,2-aminoalcohols Sulfenyl compounds Dialkylamines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Aryl thioether - Phenol ether - Thiophenol ether - Alkyl aryl ether - Alkylarylthioether - Monocyclic benzene moiety - 1,2-aminoalcohol - Secondary alcohol - Secondary aliphatic amine - Ether - Sulfenyl compound - Secondary amine - Thioether - Organooxygen compound - Organonitrogen compound - Alcohol - Organic nitrogen compound - Organopnictogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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

• 分子量: 255.380 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 255.129 Da
• Monoisotopic Mass: 255.129 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 202.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1