4-(2-Hydroxyethyl)thiomorpholine 1,1-Dioxide - ≥98% , CAS No.26475-62-7

CAS: 26475-62-7 Cat. No.: H157198 Fórmula: C₆H₁₃NO₃S Peso molecular: 179.23 Beilstein Registry Number: 27(3/4)648

GRADE & PURITY ≥98%

Synonyms

2-(1,1-Dioxo-1-thiomorpholin-4-yl)-ethanol | 4-(2-hydroxyethyl)-1,1-dioxothiomorpholine | A818463 | MFCD00106415 | 2-(1,1-dioxothiomorpholin-4-yl)ethanol | N-(2-Hydroxyethyl) thiomorpholine 1,1-dioxide | AKOS009605672 | 2-(1,1-dioxidothiomorpholino)ethano

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

2-(1,1-Dioxo-1-thiomorpholin-4-yl)-ethanol | 4-(2-hydroxyethyl)-1,1-dioxothiomorpholine | A818463 | MFCD00106415 | 2-(1,1-dioxothiomorpholin-4-yl)ethanol | N-(2-Hydroxyethyl) thiomorpholine 1,1-dioxide | AKOS009605672 | 2-(1,1-dioxidothiomorpholino)ethano

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged,Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488199940
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199940
• Sonrisas canónicas: C1CS(=O)(=O)CCN1CCO
• IUPAC Name: 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanol
• InChIKey: GILLKIJFJOBJCD-UHFFFAOYSA-N
• INCHI: 1S/C6H13NO3S/c8-4-1-7-2-5-11(9,10)6-3-7/h8H,1-6H2
• Isómeros SMILES: C1CS(=O)(=O)CCN1CCO
• Peso molecular: 179.23
• Beilstein: 27(3/4)648
• Reaxy-Rn: 128506
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=128506&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Thiazinanes
      • Subclass Thiomorpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Thiazinanes
• Subclass: Thiomorpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiomorpholines
• Alternative Parents: Sulfones Trialkylamines 1,2-aminoalcohols Azacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 1,4-thiazinane - Sulfone - 1,2-aminoalcohol - Tertiary amine - Tertiary aliphatic amine - Alkanolamine - Azacycle - Organic oxide - Organic oxygen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as thiomorpholines. These are heterocyclic compounds containing a thiomorpholine ring, which is a six-membered aliphatic ring containing one nitrogen atom and one sulfur atom at positions 1 and 4 respectively, and four carbon atoms.
• 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

• Solubilidad: Soluble in Methanol
• Sensibilidad: Air Sensitive
• Punto de ebullición (°C): 197°C/1mmHg(lit.)
• Punto de fusión (°C): 74 °C
• Peso molecular: 179.240 g/mol
• XLogP3: -1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 179.062 Da
• Monoisotopic Mass: 179.062 Da
• Topological Polar Surface Area: 66.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 192.000
• 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