2-(Methylsulfonyl)phenol - ≥98% , CAS No.27489-33-4

CAS: 27489-33-4 Cat. No.: M183371 Formula: C₇H₈O₃S Peso molecolare: 172.2 Numero EC: 852-944-5

GRADE & PURITY ≥98%

Synonyms

SY104181 | AKOS005070543 | B4UQ9U6EBX | DTXSID80344712 | 2-(Methylsulphonyl)phenol | METHYL4-(PHENYL-PROPIONYL-AMINO)-PIPERIDINE-4-CARBOXYLATEHCL | Phenol, o-(methylsulfonyl)- | 2-methanesulfonylphenol | 2-Methanesulfonyl-phenol | EN300-54726 | BP-23496 |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

SY104181 | AKOS005070543 | B4UQ9U6EBX | DTXSID80344712 | 2-(Methylsulphonyl)phenol | METHYL4-(PHENYL-PROPIONYL-AMINO)-PIPERIDINE-4-CARBOXYLATEHCL | Phenol, o-(methylsulfonyl)- | 2-methanesulfonylphenol | 2-Methanesulfonyl-phenol | EN300-54726 | BP-23496 |

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Sorrisi canonici

CS(=O)(=O)C1=CC=CC=C1O

IUPAC Name

2-methylsulfonylphenol

InChIKey

ZWTZHHHSRDUVRT-UHFFFAOYSA-N

INCHI

1S/C7H8O3S/c1-11(9,10)7-5-3-2-4-6(7)8/h2-5,8H,1H3

Isomeri SMILES

CS(=O)(=O)C1=CC=CC=C1O

Peso molecolare

172.2

Reaxy-Rn

2090067

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2090067&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzenesulfonyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzenesulfonyl compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonyl compounds
• Alternative Parents: 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Sulfones Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonyl group - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Sulfonyl - Sulfone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzenesulfonyl compounds. These are aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl group.
• 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

• Peso molecolare: 172.200 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 172.019 Da
• Monoisotopic Mass: 172.019 Da
• Topological Polar Surface Area: 62.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 214.000
• 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