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2,6-Dimercaptopurine - 95%, high purity , CAS No.5437-25-2
Basic Description
Synonyms
D2517 | 3,7-Dihydro-1H-purine-2,6-dithione | NCGC00161966-01 | NSC685799 | NSC-685799 | Dithioxanthine;9H-Purine-2,6-dithiol | SCHEMBL1275415 | 6-sulfanyl-1,9-dihydro-2H-purine-2-thione | CCG-2315 | EINECS 226-608-8 | 2.6-Dimercaptopurine | AKOS022140013
Specifications & Purity
≥95%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Imidazopyrimidines
Subclass
Purines and purine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Purinethiones
Alternative Parents
Pyrimidinethiones 2-Thiopyrimidines Thiolactams Imidazoles Heteroaromatic compounds Thioureas Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Purinethione - 2-thiopyrimidine - Thiopyrimidine - Pyrimidinethione - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Thiolactam - Thiourea - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as purinethiones. These are purines in which the purine moiety bears a thioketone.
External Descriptors
Not available
Data sources
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
488191779
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488191779
IUPAC Name
3,7-dihydropurine-2,6-dithione
INCHI
InChI=1S/C5H4N4S2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)
InChIKey
VQPMXSMUUILNFZ-UHFFFAOYSA-N
Smiles
C1=NC2=C(N1)C(=S)NC(=S)N2
Isomeric SMILES
C1=NC2=C(N1)C(=S)NC(=S)N2
RTECS
UO8475000
Molecular Weight
184.24
Beilstein
26(5)13,551
Reaxy-Rn
152834
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=152834&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
184.200 g/mol
XLogP3
0.500
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
183.988 Da
Monoisotopic Mass
183.988 Da
Topological Polar Surface Area
117.000 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
217.000
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
Citations of This Product
1.
Ji An-Lan, Ding Rui, Liang Xuan, Liu Xiao, Zhang Yu-Chen, Wang Yu-Han, Zhang Yu-Lin, Lei Ming-Di, Zhang Yi-Wen, Fu Jie, Wang Wei-Jie, Liu Jie.
(2025)
Unlocking superior corrosion inhibition in HCl: thiol-functionalized purine derivatives outperform amino analogues via synergistic electrochemical and quantum mechanisms. Reaction Kinetics Mechanisms and Catalysis,
(1-25).
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1 Citations
C2218594