Benzo[b]naphtho[1,2-d]thiophene - ≥98% , CAS No.205-43-6

CAS: 205-43-6 Cat. No.: B152947 Peso molecular: 234.32

GRADE & PURITY ≥98%

Synonyms

AKOS027382113 | 3,4-Benzo-9-thiafluorene | J-519695 | Naphtho[2,1-b]thianaphthene | DTXSID4075370 | F16260 | BENZO (b) NAPHTHO (1,2-d) THIOPHENE (purity) | SY055845 | Benzo(b)naphtho(1,2-d)thiophene | XZUMOEVHCZXMTR-UHFFFAOYSA-N | A855048 | 5-17-02-00434

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

AKOS027382113 | 3, 4-Benzo-9-thiafluorene | J-519695 | Naphtho[2, 1-b]thianaphthene | DTXSID4075370 | F16260 | BENZO (b) NAPHTHO (1, 2-d) THIOPHENE (purity) | SY055845 | Benzo(b)naphtho(1, 2-d)thiophene | XZUMOEVHCZXMTR-UHFFFAOYSA-N | A855048 | 5-17-02-00434

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504751793
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751793
• Sonrisas canónicas: C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC=C4S3
• IUPAC Name: naphtho[2,1-b][1]benzothiole
• InChIKey: XZUMOEVHCZXMTR-UHFFFAOYSA-N
• INCHI: 1S/C16H10S/c1-2-6-12-11(5-1)9-10-15-16(12)13-7-3-4-8-14(13)17-15/h1-10H
• Isómeros SMILES: C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC=C4S3
• RTECS: DI2340000
• Peso molecular: 234.32
• Reaxy-Rn: 9635
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9635&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Naphthalenes
      • Subclass Naphthothiophenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Naphthalenes
• Subclass: Naphthothiophenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthothiophenes
• Alternative Parents: Dibenzothiophenes 1-benzothiophenes Thiophenes Heteroaromatic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthothiophene - Dibenzothiophene - 1-benzothiophene - Benzothiophene - Heteroaromatic compound - Thiophene - Organoheterocyclic compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as naphthothiophenes. These are compounds containing a naphthalene (or a derivative) fused to thiophene.
• 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

Propiedades químicas y físicas

• Solubilidad: Slightly soluble (2.8E-5 g/L) (25 ºC)
• Sensibilidad: Heat Sensitive
• Punto de ebullición (°C): 220°C/0.2mmHg(lit.)
• Punto de fusión (°C): 185 ºC
• Peso molecular: 234.300 g/mol
• XLogP3: 5.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 234.05 Da
• Monoisotopic Mass: 234.05 Da
• Topological Polar Surface Area: 28.200 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 287.000
• 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