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5-Chloro-2-(methylthio)pyrimidine - 97%, high purity , CAS No.38275-42-2

COA

Grade & Purity:

≥97%

Cas Number: 38275-42-2
Molecular Weight: 160.62
MDL number: MFCD00489773
PubChem CID: 4737063
PubChem SID: 504763117

In stock

Item Number

C170048

Grouped product items
SKU	Size	Availability	Price
C170048-250mg	250mg	Available within 1-2 weeks(?) Item is derived from our semi-finished stock and is processed in 1-2 weeks.	$28.90
C170048-1g	1g	2	$87.90
C170048-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$395.90

Basic Description

Synonyms	5-Chloro-2-(methylthio)pyrimidine \| 38275-42-2 \| 5-chloro-2-(methylsulfanyl)pyrimidine \| 2-METHYLSULFANYL-5-CHLOROPYRIMIDINE \| 5-chloro-2-methylsulfanylpyrimidine \| 2-Methylthio-5-chloropyrimidine \| 5-chloro-2-methylthiopyrimidine \| Perfluorooctanesulphonylchloride \| SCH
Specifications & Purity	≥97%
Storage Temp	Room temperature
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	Halopyrimidines Alkylarylthioethers Aryl chlorides Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aryl thioether - Halopyrimidine - Alkylarylthioether - Aryl chloride - Aryl halide - Pyrimidine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Organochloride - Organohalogen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - 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

Pubchem Sid	504763117
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504763117
IUPAC Name	5-chloro-2-methylsulfanylpyrimidine
INCHI	InChI=1S/C5H5ClN2S/c1-9-5-7-2-4(6)3-8-5/h2-3H,1H3
InChIKey	YYQOYLZOMFNKKG-UHFFFAOYSA-N
Smiles	CSC1=NC=C(C=N1)Cl
Isomeric SMILES	CSC1=NC=C(C=N1)Cl
WGK Germany	3
Molecular Weight	160.62
Reaxy-Rn	878959
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=878959&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot Number	Certificate Type	Date	Item
F2420023	Certificate of Analysis	Jul 02, 2024	C170048
J1918119	Certificate of Analysis	Aug 01, 2023	C170048
L2206073	Certificate of Analysis	Dec 14, 2022	C170048

Chemical and Physical Properties

Melt Point(°C)	59-64°C
Molecular Weight	160.630 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	159.986 Da
Monoisotopic Mass	159.986 Da
Topological Polar Surface Area	51.100 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	83.000
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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