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4-Chloro-2-(methylthio)-6-(pyrrolidin-1-yl)pyrimidine - 98%, high purity , CAS No.339017-59-3

COA

Grade & Purity:

≥98%

Cas Number: 339017-59-3
Molecular Weight: 229.7
PubChem CID: 1484517

In stock

Item Number

C183826

Grouped product items
SKU	Size	Availability	Price
C183826-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$523.90
C183826-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,271.90
C183826-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,566.90

Discover 4-Chloro-2-(methylthio)-6-(pyrrolidin-1-yl)pyrimidine by Aladdin Scientific in 98% for only $523.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	4-Chloro-2-(methylthio)-6-(pyrrolidin-1-yl)pyrimidine \| 339017-59-3 \| 4-chloro-2-methylsulfanyl-6-pyrrolidin-1-ylpyrimidine \| 4-chloro-2-(methylsulfanyl)-6-(1-pyrrolidinyl)pyrimidine \| 4-chloro-2-(methylsulfanyl)-6-(pyrrolidin-1-yl)pyrimidine \| DTXSID00363304 \| MFCD0
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organosulfur compounds
  - Class Thioethers
    - Subclass Aryl thioethers

Kingdom	Organic compounds
Superclass	Organosulfur compounds
Class	Thioethers
Subclass	Aryl thioethers
Intermediate Tree Nodes	Not available
Direct Parent	Aryl thioethers
Alternative Parents	Dialkylarylamines Halopyrimidines Aminopyrimidines and derivatives Alkylarylthioethers Imidolactams Aryl chlorides Pyrrolidines Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aryl thioether - Dialkylarylamine - Aminopyrimidine - Halopyrimidine - Alkylarylthioether - Aryl chloride - Aryl halide - Pyrimidine - Imidolactam - Heteroaromatic compound - Pyrrolidine - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organopnictogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl 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	4-chloro-2-methylsulfanyl-6-pyrrolidin-1-ylpyrimidine
INCHI	InChI=1S/C9H12ClN3S/c1-14-9-11-7(10)6-8(12-9)13-4-2-3-5-13/h6H,2-5H2,1H3
InChIKey	VVDFPCMQZZEGAD-UHFFFAOYSA-N
Smiles	CSC1=NC(=CC(=N1)Cl)N2CCCC2
Isomeric SMILES	CSC1=NC(=CC(=N1)Cl)N2CCCC2
PubChem CID	1484517
Molecular Weight	229.7

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	229.730 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	229.044 Da
Monoisotopic Mass	229.044 Da
Topological Polar Surface Area	54.300 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	187.000
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

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