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(4-(Cyclopentylamino)-2-(methylthio)pyrimidin-5-yl)methanol - ≥95%, high purity , CAS No.211245-63-5

COA

Grade & Purity:

≥95%

Cas Number: 211245-63-5
Molecular Weight: 239.34
MDL number: MFCD09833995
PubChem CID: 10752510

In stock

Item Number

P768603

Grouped product items
SKU	Size	Availability	Price
P768603-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$260.90
P768603-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$476.90
P768603-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,416.90

Basic Description

Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Protected from light,Desiccated
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

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	Aminopyrimidines and derivatives Alkylarylthioethers Imidolactams Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Primary alcohols Hydrocarbon derivatives Aromatic alcohols Amines
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aryl thioether - Aminopyrimidine - Alkylarylthioether - Pyrimidine - Imidolactam - Heteroaromatic compound - Sulfenyl compound - Azacycle - Organoheterocyclic compound - Alcohol - Aromatic alcohol - Organic oxygen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic nitrogen 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

INCHI	InChI=1S/C11H17N3OS/c1-16-11-12-6-8(7-15)10(14-11)13-9-4-2-3-5-9/h6,9,15H,2-5,7H2,1H3,(H,12,13,14)
InChIKey	HKGVZNNJDXEJQC-UHFFFAOYSA-N
Smiles	CSC1=NC=C(C(=N1)NC2CCCC2)CO
Isomeric SMILES	CSC1=NC=C(C(=N1)NC2CCCC2)CO
Molecular Weight	239.34

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

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

Analytical Chart:

Chemical and Physical Properties

Boil Point(°C)	455.7±35.0°C(Predicted)
Molecular Weight	239.340 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	239.109 Da
Monoisotopic Mass	239.109 Da
Topological Polar Surface Area	83.300 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	211.000
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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