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6-Methylpyrimidine-4(3H)-thione - ≥97%, high purity , CAS No.51793-97-6

COA

Grade & Purity:

≥97%

Cas Number: 51793-97-6
Molecular Weight: 126.18
PubChem CID: 4557596

In stock

Item Number

M709227

Grouped product items
SKU	Size	Availability	Price
M709227-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$29.90
M709227-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$44.90
M709227-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$125.90
M709227-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$379.90

View related series

Pyrimidine compounds (125)

Basic Description

Synonyms	6-Methylpyrimidine-4-thiol \| 6-methyl-1H-pyrimidine-4-thione \| 4(1H)-Pyrimidinethione, 6-methyl- (9CI)
Specifications & Purity	≥97%
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	Hydropyrimidines Heteroaromatic compounds Azacyclic compounds Organosulfur compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyrimidinethione - Hydropyrimidine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur 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

IUPAC Name	6-methyl-1H-pyrimidine-4-thione
INCHI	InChI=1S/C5H6N2S/c1-4-2-5(8)7-3-6-4/h2-3H,1H3,(H,6,7,8)
InChIKey	HCADPDLQEAZJJN-UHFFFAOYSA-N
Smiles	CC1=CC(=S)N=CN1
Isomeric SMILES	CC1=CC(=S)N=CN1
PubChem CID	4557596
Molecular Weight	126.18

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

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

Analytical Chart:

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7 results found

Lot Number	Certificate Type	Date	Item
K2422598	Certificate of Analysis	Nov 13, 2024	M709227
K2422594	Certificate of Analysis	Nov 13, 2024	M709227
K2422595	Certificate of Analysis	Nov 13, 2024	M709227
K2422596	Certificate of Analysis	Nov 13, 2024	M709227
K2422597	Certificate of Analysis	Nov 13, 2024	M709227
K2422599	Certificate of Analysis	Nov 13, 2024	M709227
K2422600	Certificate of Analysis	Nov 13, 2024	M709227

Chemical and Physical Properties

Molecular Weight	126.180 g/mol
XLogP3	0.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	126.025 Da
Monoisotopic Mass	126.025 Da
Topological Polar Surface Area	56.500 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	169.000
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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