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3-(Phenylsulfonyl)pyrrolidine - ≥98%, high purity , CAS No.101769-04-4

COA

Grade & Purity:

≥98%

Cas Number: 101769-04-4
Molecular Weight: 211.28
PubChem CID: 3614203

In stock

Item Number

P708770

Grouped product items
SKU	Size	Availability	Price	Qty
P708770-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$593.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzenesulfonyl compounds

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzenesulfonyl compounds
Intermediate Tree Nodes	Not available
Direct Parent	Benzenesulfonyl compounds
Alternative Parents	Sulfones Pyrrolidines Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Benzenesulfonyl group - Pyrrolidine - Sulfone - Sulfonyl - Azacycle - Organoheterocyclic compound - Secondary aliphatic amine - Secondary amine - Hydrocarbon derivative - Amine - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
Description	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
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

Names and Identifiers

IUPAC Name	3-(benzenesulfonyl)pyrrolidine
INCHI	InChI=1S/C10H13NO2S/c12-14(13,10-6-7-11-8-10)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2
InChIKey	LHGKEGUGTRSIKW-UHFFFAOYSA-N
Smiles	C1CNCC1S(=O)(=O)C2=CC=CC=C2
Isomeric SMILES	C1CNCC1S(=O)(=O)C2=CC=CC=C2
PubChem CID	3614203
Molecular Weight	211.28

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	211.280 g/mol
XLogP3	0.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	211.067 Da
Monoisotopic Mass	211.067 Da
Topological Polar Surface Area	54.600 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	275.000
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

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