5-Methylbenzo[b]thiophene - ≥97%(GC) , CAS No.14315-14-1

CAS: 14315-14-1 Cat. No.: M158051 Peso molecular: 148.22 Número EC: 238-256-2

GRADE & PURITY ≥97%(GC)

Synonyms

MFCD00052509 | 5-Methyl-1-benzothiophene | W-205588 | DTXSID3074523 | SCHEMBL155613 | SY009899 | Benzo[b]thiophene, 5-methyl- | 5-Methyl-benzo[d]thiophene | PS-4433 | AKOS006220490 | Benzothiophene, 5-mehyl | 5-methylbenzothiophene | 5-methyl-benzothiophe

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

MFCD00052509 | 5-Methyl-1-benzothiophene | W-205588 | DTXSID3074523 | SCHEMBL155613 | SY009899 | Benzo[b]thiophene, 5-methyl- | 5-Methyl-benzo[d]thiophene | PS-4433 | AKOS006220490 | Benzothiophene, 5-mehyl | 5-methylbenzothiophene | 5-methyl-benzothiophe

Especificaciones y pureza

≥97%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%(GC)

Nombres e identificadores

• Pubchem Sid: 488186237
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186237
• Sonrisas canónicas: CC1=CC2=C(C=C1)SC=C2
• IUPAC Name: 5-methyl-1-benzothiophene
• InChIKey: DOHZWDWNQFZIKH-UHFFFAOYSA-N
• INCHI: 1S/C9H8S/c1-7-2-3-9-8(6-7)4-5-10-9/h2-6H,1H3
• Isómeros SMILES: CC1=CC2=C(C=C1)SC=C2
• Peso molecular: 148.22
• Reaxy-Rn: 109866
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=109866&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzothiophenes
      • Subclass 1-benzothiophenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzothiophenes
• Subclass: 1-benzothiophenes
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-benzothiophenes
• Alternative Parents: Benzenoids Thiophenes Heteroaromatic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1-benzothiophene - Benzenoid - Heteroaromatic compound - Thiophene - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1-benzothiophenes. These are aromatic heterocyclic compound containing the Benzo[b]thiophene ring system.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Insoluble in water.
• Sensibilidad: Air Sensitive
• Punto de inflamación (°C): 72 °C
• Punto de ebullición (°C): 67°C/0.6mmHg
• Punto de fusión (°C): 35-39℃
• Peso molecular: 148.230 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 148.035 Da
• Monoisotopic Mass: 148.035 Da
• Topological Polar Surface Area: 28.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 122.000
• 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