Ethyl Isopropyl Sulfone - ≥97%(GC) , CAS No.4853-75-2

CAS: 4853-75-2 Cat. No.: E156276 분자식: C₅H₁₂O₂S 분자량: 136.21 Beilstein Registry Number: 1(4)1501 EC 번호: 809-931-4

등급 & 순도 ≥97%(GC)

Synonyms

AS-57970 | E0475 | Ethyl Isopropyl Sulfone | 2-ethylsulfonylpropane | Ethy isopropyl sulfone | D90526 | DTXSID50617324 | 2-(Ethylsulfonyl)propane | AKOS015838545 | 2-(ETHANESULFONYL)PROPANE | MFCD00050418 | Propane, 2-(ethylsulfonyl)- | SCHEMBL148219

Storage

Store at 2-8°C

Shipped In

Wet ice

사양

동의어

AS-57970 | E0475 | Ethyl Isopropyl Sulfone | 2-ethylsulfonylpropane | Ethy isopropyl sulfone | D90526 | DTXSID50617324 | 2-(Ethylsulfonyl)propane | AKOS015838545 | 2-(ETHANESULFONYL)PROPANE | MFCD00050418 | Propane, 2-(ethylsulfonyl)- | SCHEMBL148219

사양 및 순도

≥97%(GC)

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥97%(GC)

이름과 식별자

Pubchem Sid

504769032

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504769032

정식 스마일

CCS(=O)(=O)C(C)C

IUPAC Name

2-ethylsulfonylpropane

InChIKey

RDKKQZIFDSEMNU-UHFFFAOYSA-N

INCHI

1S/C5H12O2S/c1-4-8(6,7)5(2)3/h5H,4H2,1-3H3

이성체 SMILES

CCS(=O)(=O)C(C)C

분자량

136.21

Beilstein

1(4)1501

Reaxy-Rn

1745031

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1745031&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • 분류 Sulfonyls
      • Subclass Sulfones

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• 분류: Sulfonyls
• Subclass: Sulfones
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfones
• Alternative Parents: Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sulfone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as sulfones. These are compounds containing a sulfonyl group( which as the general structure RS(=O)2R' (R,R' =alkyl, aryl)) attached to two 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

• 굴절률: 1.45
• 발화점(°C): 101 °C
• 끓는점(°C): 91°C/2mmHg(lit.)
• 분자량: 136.210 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 136.056 Da
• Monoisotopic Mass: 136.056 Da
• Topological Polar Surface Area: 42.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 138.000
• 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