2-(Isobutylthio)ethanol - ≥98% , CAS No.42779-10-2

CAS: 42779-10-2 Cat. No.: I157607 Formula: C₆H₁₄OS Peso molecolare: 134.24

QUALITÀ & PUREZZA ≥98%

Synonyms

2-(Isobutylsulfanyl)ethanol | 2-Hydroxyethyl Isobutyl Sulfide

Storage

Room temperature

Shipped In

Normal

Specifiche

Sinonimi

2-(Isobutylsulfanyl)ethanol | 2-Hydroxyethyl Isobutyl Sulfide

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

504759200

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504759200

Sorrisi canonici

CC(C)CSCCO

IUPAC Name

2-(2-methylpropylsulfanyl)ethanol

InChIKey

PSCYOFJZGIAXOL-UHFFFAOYSA-N

INCHI

1S/C6H14OS/c1-6(2)5-8-4-3-7/h6-7H,3-5H2,1-2H3

Isomeri SMILES

CC(C)CSCCO

Peso molecolare

134.24

Reaxy-Rn

1732708

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1732708&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Classe Thioethers
      • Subclass Dialkylthioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: Thioethers
• Subclass: Dialkylthioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkylthioethers
• Alternative Parents: Sulfenyl compounds Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkylthioether - Sulfenyl compound - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as dialkylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two alkyl groups.
• 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

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.48
• Punto di ebollizione (°C): 88°C/15mmHg(lit.)
• Peso molecolare: 134.240 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 134.077 Da
• Monoisotopic Mass: 134.077 Da
• Topological Polar Surface Area: 45.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 45.800
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 42779-10-2, the molecular formula is C6H14OS, and the molecular weight is 134.24 g/mol. InChIKey PSCYOFJZGIAXOL-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.