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

CAS: 4972-31-0 Cat. No.: P138917 Formule: C₁₁H₁₅NOS Poids moléculaire: 209.31 Numéro CE: 627-585-0 PubChem CID: 832420

QUALITÉ & PURETÉ ≥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

Vue d’ensemble

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

Spécifications

Synonymes

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

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

Pubchem Sid

504760248

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

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

WGK Allemagne

3

PubChem CID

832420

Poids moléculaire

209.31

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Piperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Point de fusion (°C): 84-88 °C (lit.)
• Poids moléculaire: 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