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2-Methylsulfanylpyrimidine-4-carboxylic acid - 95%, high purity , CAS No.1126-44-9

COA

Grade & Purity:

≥95%

Cas Number: 1126-44-9
Molecular Weight: 170.19
PubChem CID: 295775

In stock

Item Number

M189735

Grouped product items
SKU	Size	Availability	Price
M189735-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
M189735-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$29.90
M189735-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$99.90
M189735-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$339.90

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Pyrimidines And Derivatives (2)

Basic Description

Synonyms	2-(methylthio)pyrimidine-4-carboxylic acid \| 2-Methylsulfanyl-pyrimidine-4-carboxylic acid \| 2-Methylthiopyrimidine-4-carboxylic acid \| MFCD09834808 \| 2-(methylsulfanyl)pyrimidine-4-carboxylic acid \| 1126-44-9
Specifications & Purity	≥95%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazines
    - Subclass Pyrimidines and pyrimidine derivatives
      - Level5 Pyrimidinecarboxylic acids and derivatives
        Level6 Pyrimidinecarboxylic acids

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazines
Subclass	Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes	Pyrimidinecarboxylic acids and derivatives
Direct Parent	Pyrimidinecarboxylic acids
Alternative Parents	Alkylarylthioethers Heteroaromatic compounds Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyrimidine-6-carboxylic acid - Aryl thioether - Alkylarylthioether - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Thioether - Azacycle - Sulfenyl compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyrimidinecarboxylic acids. These are pyrimidines with a structure containing a carboxyl group attached to the pyrimidine ring.
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	2-methylsulfanylpyrimidine-4-carboxylic acid
INCHI	InChI=1S/C6H6N2O2S/c1-11-6-7-3-2-4(8-6)5(9)10/h2-3H,1H3,(H,9,10)
InChIKey	IAGNLKODEFUQDV-UHFFFAOYSA-N
Smiles	CSC1=NC=CC(=N1)C(=O)O
Isomeric SMILES	CSC1=NC=CC(=N1)C(=O)O
Molecular Weight	170.19
Reaxy-Rn	127671
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=127671&ln=

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

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Analytical Chart:

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7 results found

Lot Number	Certificate Type	Date	Item
I2406445	Certificate of Analysis	Jun 11, 2024	M189735
I2406471	Certificate of Analysis	Jun 11, 2024	M189735
I2406472	Certificate of Analysis	Jun 11, 2024	M189735
I2406440	Certificate of Analysis	Jun 11, 2024	M189735
I2406470	Certificate of Analysis	Jun 11, 2024	M189735
I2406468	Certificate of Analysis	Jun 11, 2024	M189735
I2406484	Certificate of Analysis	Jun 11, 2024	M189735

Chemical and Physical Properties

Molecular Weight	170.190 g/mol
XLogP3	0.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	170.015 Da
Monoisotopic Mass	170.015 Da
Topological Polar Surface Area	88.400 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	154.000
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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