3-Mercapto-2-pentanone - ≥95% , CAS No.67633-97-0

CAS: 67633-97-0 Cat. No.: M102973 Formule: C₅H₁₀OS Poids moléculaire: 118.19 Numéro CE: 266-799-5

GRADE & PURITY ≥95%

Synonyms

3-mercapto-2-penanone | QI84S5GN0K | (+/-)-3-MERCAPTO-2-PENTANONE | 3-sulfanylpentan-2-one | EINECS 266-799-5 | FT-0615949 | Q27287278 | 3-Mercaptopentan-2-one | 3-Mercapto-2-pentanone | M2026 | 3-MERCAPTO-2-PENTANONE [FHFI] | 3-Sulfanyl-2-pentanone, Aldr

Storage

Protégé de la lumière,Stocker à -20°C,Chargé à l'argon

Shipped In

Glacière + blocs de glace

Specifications

Synonymes

3-mercapto-2-penanone | QI84S5GN0K | (+/-)-3-MERCAPTO-2-PENTANONE | 3-sulfanylpentan-2-one | EINECS 266-799-5 | FT-0615949 | Q27287278 | 3-Mercaptopentan-2-one | 3-Mercapto-2-pentanone | M2026 | 3-MERCAPTO-2-PENTANONE [FHFI] | 3-Sulfanyl-2-pentanone, Aldr

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Protégé de la lumière,Stocker à -20°C,Chargé à l'argon

Expédié en

Glacière + blocs de glace

Pureté

≥95%

Noms et identifiants

• Pubchem Sid: 504753825
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753825
• Sourires canoniques: CCC(C(=O)C)S
• IUPAC Name: 3-sulfanylpentan-2-one
• InChIKey: SZECUQRKLXRGSJ-UHFFFAOYSA-N
• INCHI: 1S/C5H10OS/c1-3-5(7)4(2)6/h5,7H,3H2,1-2H3
• Isomères SMILES: CCC(C(=O)C)S
• Numéro ONU: 3336
• Poids moléculaire: 118.19
• Reaxy-Rn: 1902153
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1902153&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Ketones
• Alternative Parents: Alkylthiols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Ketone - Alkylthiol - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol.
• 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: light sensitive
• Indice de réfraction: 1.47
• Point d'éclair (°C): 49 °C
• Point d'ébullition (°C): 52°C
• Poids moléculaire: 118.200 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 118.045 Da
• Monoisotopic Mass: 118.045 Da
• Topological Polar Surface Area: 18.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 70.500
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1