3-Phenylthiophene - ≥95% , CAS No.2404-87-7

CAS: 2404-87-7 Cat. No.: P160670 Formula: C₁₀H₈S Peso molecolare: 160.23 PubChem CID: 75473

GRADE & PURITY ≥95%

Synonyms

BDBM12366 | MFCD00114997 | CHEBI:34392 | DTXSID90178787 | 3-Phenylthiophene | 3-phenyl-thiophene | AI-942/25034734 | HFB27SS2KM | Hydrocinnamic alcohol | ZDQZVKVIYAPRON-UHFFFAOYSA- | AMY22851 | beta-Anilinoethanol | AC-4933 | UNII-HFB27SS2KM | NORNICOTINE

Storage

Store at 2-8°C

Shipped In

Wet ice

Panoramica

Product Application:

Conducting polymer precursor.

Specifications

Sinonimi

BDBM12366 | MFCD00114997 | CHEBI:34392 | DTXSID90178787 | 3-Phenylthiophene | 3-phenyl-thiophene | AI-942/25034734 | HFB27SS2KM | Hydrocinnamic alcohol | ZDQZVKVIYAPRON-UHFFFAOYSA- | AMY22851 | beta-Anilinoethanol | AC-4933 | UNII-HFB27SS2KM | NORNICOTINE

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%

Nomi e identificatori

Pubchem Sid

504754946

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754946

Sorrisi canonici

C1=CC=C(C=C1)C2=CSC=C2

IUPAC Name

3-phenylthiophene

InChIKey

ZDQZVKVIYAPRON-UHFFFAOYSA-N

INCHI

1S/C10H8S/c1-2-4-9(5-3-1)10-6-7-11-8-10/h1-8H

Isomeri SMILES

C1=CC=C(C=C1)C2=CSC=C2

PubChem CID

75473

Peso molecolare

160.23

Reaxy-Rn

2477

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Thiophenes Heteroaromatic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Monocyclic benzene moiety - Heteroaromatic compound - Thiophene - Organoheterocyclic compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

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CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

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CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

Discover Target: CYP2C9

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CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

Discover Target: CYP2C19

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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CYP2E1 Tchem Cytochrome P450 2E1 (2174 Activities)

Discover Target: CYP2E1

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CYP2A6 Tchem Cytochrome P450 2A6 (2861 Activities)

Discover Target: CYP2A6

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CYP2B6 Tchem Cytochrome P450 2B6 (1338 Activities)

Discover Target: CYP2B6

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Obiettivi associati (non umani)

Mus musculus (284745 Activities)

Explore this target

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di ebollizione (°C): 256°C(lit.)
• Punto di fusione (°C): 91 °C
• Peso molecolare: 160.240 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 160.035 Da
• Monoisotopic Mass: 160.035 Da
• Topological Polar Surface Area: 28.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 116.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2404-87-7, the molecular formula is C10H8S, and the molecular weight is 160.23 g/mol. InChIKey ZDQZVKVIYAPRON-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.