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4-Chloro-2-(methylthio)pyrimidine-5-carbonitrile - 98%, high purity , CAS No.33089-15-5

COA

Grade & Purity:

≥98%

Cas Number: 33089-15-5
Molecular Weight: 185.6
PubChem CID: 13114183

In stock

Item Number

C183750

Grouped product items
SKU	Size	Availability	Price
C183750-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
C183750-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$13.90
C183750-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$45.90
C183750-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$89.90
C183750-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$219.90

View related series

Pyrimidines (539)

Basic Description

Synonyms	4-Chloro-2-(methylthio)pyrimidine-5-carbonitrile \| 33089-15-5 \| 4-chloro-2-methylsulfanylpyrimidine-5-carbonitrile \| 4-chloro-2-(methylsulfanyl)pyrimidine-5-carbonitrile \| 4-chloro-2-methylsulfanyl-pyrimidine-5-carbonitrile \| MFCD00507261 \| 4-Chloro-2-methylsulfanyl-
Specifications & Purity	≥98%
Storage Temp	Store at -20°C,Argon charged,Desiccated
Shipped In	Ice chest + Ice pads 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	Halopyrimidines Alkylarylthioethers Aryl chlorides Heteroaromatic compounds Sulfenyl compounds Nitriles Azacyclic compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aryl thioether - Halopyrimidine - Alkylarylthioether - Aryl chloride - Aryl halide - Pyrimidine - Heteroaromatic compound - Carbonitrile - Nitrile - Azacycle - Sulfenyl compound - Organoheterocyclic compound - Organohalogen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Cyanide - 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

IUPAC Name	4-chloro-2-methylsulfanylpyrimidine-5-carbonitrile
INCHI	InChI=1S/C6H4ClN3S/c1-11-6-9-3-4(2-8)5(7)10-6/h3H,1H3
InChIKey	IGIRTCCCRNZFSQ-UHFFFAOYSA-N
Smiles	CSC1=NC=C(C(=N1)Cl)C#N
Isomeric SMILES	CSC1=NC=C(C(=N1)Cl)C#N
Molecular Weight	185.6
Reaxy-Rn	957832
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=957832&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.

7 results found

Lot Number	Certificate Type	Date	Item
B2514155	Certificate of Analysis	Sep 12, 2024	C183750
B2514151	Certificate of Analysis	Sep 12, 2024	C183750
B2514152	Certificate of Analysis	Sep 12, 2024	C183750
B2514154	Certificate of Analysis	Sep 12, 2024	C183750
B2521690	Certificate of Analysis	Sep 12, 2024	C183750
B2521691	Certificate of Analysis	Sep 12, 2024	C183750
B2521702	Certificate of Analysis	Sep 12, 2024	C183750

Chemical and Physical Properties

Molecular Weight	185.640 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	184.981 Da
Monoisotopic Mass	184.981 Da
Topological Polar Surface Area	74.900 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	178.000
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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