S-Propyl Thioacetate - ≥98%(GC) , CAS No.2307-10-0

CAS: 2307-10-0 Cat. No.: S161333 Fórmula: C₅H₁₀OS Peso molecular: 118.19 Beilstein Registry Number: 2(4)544 Número EC: 218-984-7 PubChem CID: 61295

GRADE & PURITY ≥98%(GC)

Synonyms

FEMA 3385 | S-N-PROPYL THIOACETATE | S-Propyl ethanethioate, AldrichCPR | LS-13068 | 1-(propylsulfanyl)ethan-1-one | D92148 | PROPYL THIOACETATE [FHFI] | S-Propyl ethanethioate | S-N-Propylthioacetate | MFCD00039937 | CHEBI:173442 | ETHANETHIOIC ACID S-PR

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

FEMA 3385 | S-N-PROPYL THIOACETATE | S-Propyl ethanethioate, AldrichCPR | LS-13068 | 1-(propylsulfanyl)ethan-1-one | D92148 | PROPYL THIOACETATE [FHFI] | S-Propyl ethanethioate | S-N-Propylthioacetate | MFCD00039937 | CHEBI:173442 | ETHANETHIOIC ACID S-PR

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

Pubchem Sid

504753764

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504753764

Sonrisas canónicas

CCCSC(=O)C

IUPAC Name

S-propyl ethanethioate

InChIKey

SBWFWBJCYMBZEY-UHFFFAOYSA-N

INCHI

1S/C5H10OS/c1-3-4-7-5(2)6/h3-4H2,1-2H3

Isómeros SMILES

CCCSC(=O)C

PubChem CID

61295

Peso molecular

118.19

Beilstein

2(4)544

Reaxy-Rn

1740765

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Thiocarboxylic acids and derivatives
      • Subclass Thioesters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Thiocarboxylic acids and derivatives
• Subclass: Thioesters
• Intermediate Tree Nodes: Not available
• Direct Parent: Thioesters
• Alternative Parents: Carbothioic S-esters Sulfenyl compounds Carboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carbothioic s-ester - Thiocarboxylic acid ester - Sulfenyl compound - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as thioesters. These are organic compounds containing an ester of thiocarboxylic acid, with the general structure RC(=S)XR' (R=H, alkyl, aryl; R'=alkyl, aryl; X=O,S).
• 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

• Índice de refracción: 1.4570-1.4610
• Punto de inflamación (°C): 36 °C
• Punto de ebullición (°C): 137 °C
• Peso molecular: 118.200 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 118.045 Da
• Monoisotopic Mass: 118.045 Da
• Topological Polar Surface Area: 42.400 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 61.100
• 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