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

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

등급 & 순도 ≥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

사양

동의어

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

사양 및 순도

≥98%

보관 조건

Argon charged,Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

Pubchem Sid

488199940

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488199940

정식 스마일

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

이성체 SMILES

C1CS(=O)(=O)CCN1CCO

분자량

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
    • 분류 Thiazinanes
      • Subclass Thiomorpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: Soluble in Methanol
• 감도: Air Sensitive
• 끓는점(°C): 197°C/1mmHg(lit.)
• 녹는점(°C): 74 °C
• 분자량: 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