1-(Ethylthio)-3-methoxybenzene - ≥98% , CAS No.38474-02-1

CAS: 38474-02-1 Cat. No.: E1297581 Summenformel: C₉H₁₂OS Molekulargewicht: 168.26

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Reinheit

≥98%

Namen und Kennungen

• Kanonisches Lächeln: CCSC1=CC=CC(=C1)OC
• IUPAC Name: 1-ethylsulfanyl-3-methoxybenzene
• InChIKey: BEPBPCRLISEYKM-UHFFFAOYSA-N
• INCHI: 1S/C9H12OS/c1-3-11-9-6-4-5-8(7-9)10-2/h4-7H,3H2,1-2H3
• Molekulargewicht: 168.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Thiophenol ethers Phenoxy compounds Methoxybenzenes Alkylarylthioethers Alkyl aryl ethers Sulfenyl compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Aryl thioether - Anisole - Methoxybenzene - Thiophenol ether - Alkyl aryl ether - Alkylarylthioether - Monocyclic benzene moiety - Sulfenyl compound - Ether - Thioether - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• 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: 168.260 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 168.061 Da
• Monoisotopic Mass: 168.061 Da
• Topological Polar Surface Area: 34.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 106.000
• 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