S-Furfuryl Thioformate - ≥95% , CAS No.59020-90-5

CAS: 59020-90-5 Cat. No.: S161330 Peso molecular: 142.17 Número EC: 261-563-8 PubChem CID: 62144

GRADE & PURITY ≥95%

Synonyms

FEMA 3158 | SCHEMBL3505825 | 2-(Formylthiomethyl)furan | 2-Furanmethanethiol formate, >=97%, FG | J-640070 | CHEBI:173596 | J-800072 | Methanethioic acid, 3-(2-furanylmethyl) ester | Q27281539 | EINECS 261-563-8 | 2-FURANMETHANETHIOL FORMATE [FHFI] | Furf

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

FEMA 3158 | SCHEMBL3505825 | 2-(Formylthiomethyl)furan | 2-Furanmethanethiol formate, >=97%, FG | J-640070 | CHEBI:173596 | J-800072 | Methanethioic acid, 3-(2-furanylmethyl) ester | Q27281539 | EINECS 261-563-8 | 2-FURANMETHANETHIOL FORMATE [FHFI] | Furf

Especificaciones y pureza

≥95%

Mecanismos bioquímicos y fisiológicos

Odor at 1.0%. Notes reminiscent of vinegar and rum.

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504753821
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753821
• Sonrisas canónicas: C1=COC(=C1)CSC=O
• IUPAC Name: S-(furan-2-ylmethyl) methanethioate
• InChIKey: GFAOAYJTEVHTLA-UHFFFAOYSA-N
• INCHI: 1S/C6H6O2S/c7-5-9-4-6-2-1-3-8-6/h1-3,5H,4H2
• Isómeros SMILES: C1=COC(=C1)CSC=O
• PubChem CID: 62144
• Peso molecular: 142.17

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Heteroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Heteroaromatic compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Heteroaromatic compounds
• Alternative Parents: Furans Thioesters Carbothioic S-esters Sulfenyl compounds Oxacyclic compounds Carboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Furan - Carbothioic s-ester - Thiocarboxylic acid ester - Oxacycle - Sulfenyl compound - Thiocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive
• Índice de refracción: 1.5444 (lit.)
• Punto de ebullición (°C): 66 °C/15 mmHg (lit.)
• Peso molecular: 142.180 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 142.009 Da
• Monoisotopic Mass: 142.009 Da
• Topological Polar Surface Area: 55.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 95.100
• 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