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5-Pyrimidinecarbonyl chloride， 4-chloro-2-(methylthio)- - ≥97%, high purity , CAS No.55084-66-7

COA

Grade & Purity:

≥97%

Cas Number: 55084-66-7
EC Number: 815-867-8
MDL number: MFCD23105918
PubChem CID: 18969078

In stock

Item Number

P769872

Grouped product items
SKU	Size	Availability	Price
P769872-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$53.90
P769872-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$138.90
P769872-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$416.90

Basic Description

Specifications & Purity	≥97%
Storage Temp	Store at -20°C,Argon charged
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 Organoheterocyclic compounds
  - Class Diazines
    - Subclass Pyrimidines and pyrimidine derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazines
Subclass	Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Pyrimidinecarboxylic acids and derivatives
Alternative Parents	Halopyrimidines Alkylarylthioethers Aryl chlorides Vinylogous halides Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Acyl chlorides Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyrimidine-5-carboxylic acid or derivatives - Aryl thioether - Halopyrimidine - Alkylarylthioether - Aryl chloride - Aryl halide - Heteroaromatic compound - Vinylogous halide - Azacycle - Acyl chloride - Thioether - Sulfenyl compound - Acyl halide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyrimidinecarboxylic acids and derivatives. These are compounds containing a pyrimidine ring which bears a carboxylic acid group (or a derivative thereof).
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-carbonyl chloride
INCHI	InChI=1S/C6H4Cl2N2OS/c1-12-6-9-2-3(5(8)11)4(7)10-6/h2H,1H3
InChIKey	NMFCRGDGVPCDHH-UHFFFAOYSA-N
Smiles	CSC1=NC=C(C(=N1)Cl)C(=O)Cl
Isomeric SMILES	CSC1=NC=C(C(=N1)Cl)C(=O)Cl
Alternate CAS	55084-66-7
PubChem CID	18969078

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	223.080 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	221.942 Da
Monoisotopic Mass	221.942 Da
Topological Polar Surface Area	68.200 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	181.000
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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