1-(Phenylsulfinyl)piperidine - ≥97% , CAS No.4972-31-0

CAS: 4972-31-0 Cat. No.: P138917 Summenformel: C₁₁H₁₅NOS Molekulargewicht: 209.31 EG-Nummer: 627-585-0 PubChem CID: 832420

QUALITÄT & REINHEIT ≥97%

Synonyms

AN-068/42800509 | DTXSID20356773 | 1-(Phenylsulfinyl)piperidine, 97% | AS-59404 | A871738 | 1-(Phenylsulfinyl)piperidine | 1-(PHENYLSULFINYL)PIPERIDINE 97 | SCHEMBL1259047 | SB43273 | Piperidine, 1-(phenylsulfinyl)- | 1-(benzenesulfinyl)piperidine | 1-(B

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Usually used as reagent for Selective glycosylation,Mannopyranolsylations,Design of enzyme stabilizers.

Spezifikationen

Synonyme

AN-068/42800509 | DTXSID20356773 | 1-(Phenylsulfinyl)piperidine, 97% | AS-59404 | A871738 | 1-(Phenylsulfinyl)piperidine | 1-(PHENYLSULFINYL)PIPERIDINE 97 | SCHEMBL1259047 | SB43273 | Piperidine, 1-(phenylsulfinyl)- | 1-(benzenesulfinyl)piperidine | 1-(B

Spezifikationen & Reinheit

≥97%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

504760248

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504760248

Kanonisches Lächeln

C1CCN(CC1)S(=O)C2=CC=CC=C2

IUPAC Name

1-(benzenesulfinyl)piperidine

InChIKey

LBRJCAJLGAXDKP-UHFFFAOYSA-N

INCHI

1S/C11H15NOS/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8H,2,5-6,9-10H2

Isomere SMILES

C1CCN(CC1)S(=O)C2=CC=CC=C2

WGK Deutschland

3

PubChem CID

832420

Molekulargewicht

209.31

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Piperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Piperidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidines
• Alternative Parents: Benzene and substituted derivatives Sulfinic acids and derivatives Sulfinyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzenoid - Piperidine - Monocyclic benzene moiety - Sulfinic acid derivative - Azacycle - Sulfinyl compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as piperidines. These are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five 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

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 84-88 °C (lit.)
• Molekulargewicht: 209.310 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 209.087 Da
• Monoisotopic Mass: 209.087 Da
• Topological Polar Surface Area: 39.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 195.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1