5-methyl-2,3-dihydrobenzothiophene-2-carboxylic acid - ≥97% , CAS No.1894202-69-7

CAS: 1894202-69-7 Cat. No.: M681365 Peso molecular: 194.25 Número EC: 878-679-5 PubChem CID: 117200779

GRADE & PURITY ≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Especificaciones y pureza

≥97%

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

≥97%

Propiedades del producto

• ALogP: 2.5

Nombres e identificadores

• Sonrisas canónicas: CC1=CC2=C(C=C1)SC(C2)C(=O)O
• InChIKey: ATODMKHRPLWSGL-UHFFFAOYSA-N
• INCHI: 1S/C10H10O2S/c1-6-2-3-8-7(4-6)5-9(13-8)10(11)12/h2-4,9H,5H2,1H3,(H,11,12)
• Isómeros SMILES: CC1=CC2=C(C=C1)SC(C2)C(=O)O
• PubChem CID: 117200779
• Peso molecular: 194.25

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Clase Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Clase: Thioethers
• Subclass: Aryl thioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Aryl thioethers
• Alternative Parents: Thia fatty acids Heterocyclic fatty acids Branched fatty acids Alkylarylthioethers Benzenoids Dihydrothiophenes Thioenol ethers Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aryl thioether - Alkylarylthioether - Thia fatty acid - Heterocyclic fatty acid - Branched fatty acid - Fatty acyl - Benzenoid - 2,3-dihydrothiophene - Thioenolether - Organoheterocyclic compound - Sulfenyl compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group.
• 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