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4,6-Dimethoxy-2-mercaptopyrimidine - ≥98%, high purity , CAS No.57235-35-5

COA

Grade & Purity:

≥98%

Cas Number: 57235-35-5
Molecular Weight: 172.21
PubChem CID: 10313510
PubChem SID: 488196625

In stock

Item Number

D345156

Grouped product items
SKU	Size	Availability	Price
D345156-5g	5g	3	$74.90
D345156-25g	25g	1	$269.90
D345156-100g	100g	1	$971.90

Discover 4,6-Dimethoxy-2-mercaptopyrimidine by Aladdin Scientific in ≥98% for only $74.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	4,6-Dimethoxy-2-mercaptopyrimidine \| PCVRHOZHSQQRMC-UHFFFAOYSA-N \| SCHEMBL1067804 \| W-203154 \| 4,6-Dimethoxy-pyrimidine-2-thiol \| 4,6-dimethoxypyrimidine-2-thiol \| 4,6-dimethoxy-1H-pyrimidine-2-thione \| A8162 \| 2-MERCAPTO-4,6-DIMETHOXYPYRIMIDINE \| AC-2664
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

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	Pyrimidinethiones
Alternative Parents	Alkyl aryl ethers 2-Thiopyrimidines Hydropyrimidines Heteroaromatic compounds Azacyclic compounds Organosulfur compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	2-thiopyrimidine - Thiopyrimidine - Pyrimidinethione - Alkyl aryl ether - Hydropyrimidine - Heteroaromatic compound - Azacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyrimidinethiones. These are compounds containing a pyrimidine ring that bears a thioketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
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	488196625
IUPAC Name	4,6-dimethoxy-1H-pyrimidine-2-thione
INCHI	InChI=1S/C6H8N2O2S/c1-9-4-3-5(10-2)8-6(11)7-4/h3H,1-2H3,(H,7,8,11)
InChIKey	PCVRHOZHSQQRMC-UHFFFAOYSA-N
Smiles	COC1=CC(=NC(=S)N1)OC
Isomeric SMILES	COC1=CC(=NC(=S)N1)OC
PubChem CID	10313510
Molecular Weight	172.21

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

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

Analytical Chart:

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5 results found

Lot Number	Certificate Type	Date	Item
G2306148	Certificate of Analysis	Jun 27, 2022	D345156
J2217459	Certificate of Analysis	Jun 27, 2022	D345156
J2217458	Certificate of Analysis	Jun 27, 2022	D345156
J2217523	Certificate of Analysis	Jun 27, 2022	D345156
C2526066	Certificate of Analysis	Jun 27, 2022	D345156

Chemical and Physical Properties

Refractive Index	n20D1.58 (Predicted)
Boil Point(°C)	250.92° C at 760 mmHg (Predicted)
Melt Point(°C)	114.41° C (Predicted)
Molecular Weight	172.210 g/mol
XLogP3	0.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	172.031 Da
Monoisotopic Mass	172.031 Da
Topological Polar Surface Area	74.900 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	235.000
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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