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1，3-Dimethyl-8-thioxo-3，7，8，9-tetrahydro-1H-purine-2，6-dione - ≥98%, high purity , CAS No.1784-70-9

COA

Grade & Purity:

≥98%

Cas Number: 1784-70-9
Molecular Weight: 212.23
PubChem CID: 736380

In stock

Item Number

D698912

Grouped product items
SKU	Size	Availability	Price
D698912-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$712.90
D698912-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,239.90
D698912-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,803.90
D698912-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$15,232.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Imidazopyrimidines
    - Subclass Purines and purine derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Imidazopyrimidines
Subclass	Purines and purine derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Xanthines
Alternative Parents	Purinethiones 6-oxopurines Alkaloids and derivatives Pyrimidones Imidazolethiones Vinylogous amides Heteroaromatic compounds Imidazoles Ureas Thioureas Lactams Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Xanthine - 6-oxopurine - Purinethione - Purinone - Alkaloid or derivatives - Pyrimidone - Imidazole-2-thione - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Lactam - Urea - Thiourea - Azacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.
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	1,3-dimethyl-8-sulfanylidene-7,9-dihydropurine-2,6-dione
INCHI	InChI=1S/C7H8N4O2S/c1-10-4-3(8-6(14)9-4)5(12)11(2)7(10)13/h1-2H3,(H2,8,9,14)
InChIKey	NBQIXPZKEFZVMP-UHFFFAOYSA-N
Smiles	CN1C2=C(C(=O)N(C1=O)C)NC(=S)N2
Isomeric SMILES	CN1C2=C(C(=O)N(C1=O)C)NC(=S)N2
PubChem CID	736380
Molecular Weight	212.23

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	212.230 g/mol
XLogP3	0.100
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	212.037 Da
Monoisotopic Mass	212.037 Da
Topological Polar Surface Area	96.800 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	389.000
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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1，3-Dimethyl-8-thioxo-3，7，8，9-tetrahydro-1H-purine-2，6-dione - ≥98%, high purity , CAS No.1784-70-9

Basic Description