2-Thiophenepropionic acid - ≥98% , CAS No.5928-51-8

CAS: 5928-51-8 Cat. No.: T472520 Formule: C₇H₈O₂S Poids moléculaire: 156.2 Numéro CE: 626-697-7 PubChem CID: 703169

GRADE & PURITY ≥98%

Synonyms

FT-0613596 | 3-thiophen-2-ylpropanoic acid | AMY37950 | SR-01000643332-1 | 2-Thiophenepropionic acid, 98% | 3-thiophen-2-ylpropionic acid | 3-Thiophen-2-yl-propionic acid | J-800127 | J-640123 | 3-(2-Thienyl)propionic acid | 3-(2-Thienyl)propionicacid | 2

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonymes

FT-0613596 | 3-thiophen-2-ylpropanoic acid | AMY37950 | SR-01000643332-1 | 2-Thiophenepropionic acid, 98% | 3-thiophen-2-ylpropionic acid | 3-Thiophen-2-yl-propionic acid | J-800127 | J-640123 | 3-(2-Thienyl)propionic acid | 3-(2-Thienyl)propionicacid | 2

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Argon charged,Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 488191192
• Sourires canoniques: C1=CSC(=C1)CCC(=O)O
• IUPAC Name: 3-thiophen-2-ylpropanoic acid
• InChIKey: MJPVYTKZYZPIQA-UHFFFAOYSA-N
• INCHI: 1S/C7H8O2S/c8-7(9)4-3-6-2-1-5-10-6/h1-2,5H,3-4H2,(H,8,9)
• Isomères SMILES: C1=CSC(=C1)CCC(=O)O
• PubChem CID: 703169
• Poids moléculaire: 156.2

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 Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Thiophene - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: Air and moisture sensitive
• Point de fusion (°C): 46-49 °C (lit.)
• Poids moléculaire: 156.200 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 156.025 Da
• Monoisotopic Mass: 156.025 Da
• Topological Polar Surface Area: 65.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 125.000
• 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