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6-(Methylthio)pyrimido[5,4-d]pyrimidin-4(1H)-one - 95%, high purity , CAS No.98550-19-7

COA

Grade & Purity:

≥95%

Cas Number: 98550-19-7
Molecular Weight: 194.21
PubChem CID: 135455256

In stock

Item Number

M196147

Grouped product items
SKU	Size	Availability	Price	Qty
M196147-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$221.90
M196147-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$661.90

Discover 6-(Methylthio)pyrimido[5,4-d]pyrimidin-4(1H)-one by Aladdin Scientific in 95% for only $221.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	98550-19-7 \| 6-(METHYLTHIO)PYRIMIDO[5,4-D]PYRIMIDIN-4(1H)-ONE \| 6-(METHYLTHIO)PYRIMIDO[5,4-D]PYRIMIDIN-4(3H)-ONE \| 2-methylsulfanyl-7H-pyrimido[5,4-d]pyrimidin-8-one \| 6-methylsulfanyl-1H-pyrimido[5,4-d]pyrimidin-4-one \| C7H6N4OS \| NSC515664 \| Pyrimido[5,4-d]pyrimidin-
Specifications & Purity	≥95%
Storage Temp	Room temperature
Shipped In	Normal

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	Pyrimidones Alkylarylthioethers Vinylogous amides Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Aryl thioether - Pyrimidone - Alkylarylthioether - Pyrimidine - Vinylogous amide - Heteroaromatic compound - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic 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	2-methylsulfanyl-7H-pyrimido[5,4-d]pyrimidin-8-one
INCHI	InChI=1S/C7H6N4OS/c1-13-7-8-2-4-5(11-7)6(12)10-3-9-4/h2-3H,1H3,(H,9,10,12)
InChIKey	AVUWNHRPNQVSOI-UHFFFAOYSA-N
Smiles	CSC1=NC=C2C(=N1)C(=O)NC=N2
Isomeric SMILES	CSC1=NC=C2C(=N1)C(=O)NC=N2
Molecular Weight	194.21
Reaxy-Rn	163051
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=163051&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	194.220 g/mol
XLogP3	0.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	194.026 Da
Monoisotopic Mass	194.026 Da
Topological Polar Surface Area	92.500 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	245.000
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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