10-Ethylphenothiazine - ≥98% , CAS No.1637-16-7

CAS: 1637-16-7 Cat. No.: E696360 Summenformel: C₁₄H₁₃NS Molekulargewicht: 227.33 EG-Nummer: 621-997-4 PubChem CID: 219178

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Reinheit

≥98%

Produkteigenschaften

• ALogP: 4.5

Namen und Kennungen

• Kanonisches Lächeln: CCN1C2=CC=CC=C2SC3=CC=CC=C31
• IUPAC Name: 10-ethylphenothiazine
• InChIKey: IQZBMUCMEBSKSS-UHFFFAOYSA-N
• INCHI: 1S/C14H13NS/c1-2-15-11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15/h3-10H,2H2,1H3
• Isomere SMILES: CCN1C2=CC=CC=C2SC3=CC=CC=C31
• PubChem CID: 219178
• Molekulargewicht: 227.33

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Benzothiazines
      • Subclass Phenothiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Benzothiazines
• Subclass: Phenothiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenothiazines
• Alternative Parents: Alkyldiarylamines Diarylthioethers Benzenoids 1,4-thiazines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenothiazine - Alkyldiarylamine - Diarylthioether - Aryl thioether - Tertiary aliphatic/aromatic amine - Para-thiazine - Benzenoid - Tertiary amine - Thioether - Azacycle - Amine - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenothiazines. These are polycyclic aromatic compounds containing a phenothiazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a para-thiazine 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 227.330 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 227.077 Da
• Monoisotopic Mass: 227.077 Da
• Topological Polar Surface Area: 28.500 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 221.000
• 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