2-Methylthiophene - ≥99% , CAS No.554-14-3

CAS: 554-14-3 Cat. No.: M109554 Fórmula: C₅H₆S Peso molecular: 98.17 Beilstein Registry Number: 103734 Número CE: 209-063-0

GRADE & PURITY ≥99%

Synonyms

FT-0613093 | UNII-7115JAP77A | Thiophene, 2-methyl- | AKOS000120897 | a-Thiotolene | BCP27458 | CHEBI:141567 | M0635 | 2-Methylthiophene, analytical standard | DTXSID3060291 | EINECS 209-063-0 | AC-16543 | alpha-Methylthiophene | F10310 | AMY23234 | 7115J

Storage

Room temperature,Argon charged

Shipped In

Normal

Visão geral

application：

2-Methylthiophene, is used as a flavoring agent that naturally occurs in grilled and roasted beef, papaya, cooked shrimp, whiskey, and in trace amounts in roasted chicken.

Specifications

Sinónimos

FT-0613093 | UNII-7115JAP77A | Thiophene, 2-methyl- | AKOS000120897 | a-Thiotolene | BCP27458 | CHEBI:141567 | M0635 | 2-Methylthiophene, analytical standard | DTXSID3060291 | EINECS 209-063-0 | AC-16543 | alpha-Methylthiophene | F10310 | AMY23234 | 7115J

Especificações e pureza

≥99%

Condições de armazenamento de armazenamento

Room temperature,Argon charged

Enviado em

Normal

Pureza

≥99%

Nomes e identificadores

Pubchem Sid

488181267

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181267

Sorrisos canónicos

CC1=CC=CS1

IUPAC Name

2-methylthiophene

InChIKey

XQQBUAPQHNYYRS-UHFFFAOYSA-N

INCHI

1S/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H3

SMILES isoméricas

CC1=CC=CS1

WGK Alemanha

3

RTECS

XM9625000

Número UN

1993

Peso molecular

98.17

Beilstein

103734

Reaxy-Rn

103734

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=103734&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Heteroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Heteroaromatic compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Heteroaromatic compounds
• Alternative Parents: Thiophenes Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Thiophene - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as heteroaromatic compounds. These are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom.
• 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

Propriedades químicas e físicas

• Solubilidade: Slightly soluble in water. Soluble in alcohol.
• Sensibilidade: Air Sensitive
• Índice de refração: 1.519-1.521
• Ponto de inflamação (°F): 59 °F
• Ponto de inflamação (°C): 8°C
• Ponto de ebulição (°C): 113°C
• Ponto de fusão (°C): -63°C
• Peso molecular: 98.170 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 98.019 Da
• Monoisotopic Mass: 98.019 Da
• Topological Polar Surface Area: 28.200 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 43.200
• 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