3,7-Dihydro-1H-purine-2,6-dithione

Basic Information

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CAS Number

5437-25-2

Molecular Formula

C5H4N4S2

Molecular Weight

184.25 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

>350 ºC

Boiling Point

591.561°C at 760 mmHg

Flash Point

253.9 °C

Solubility

slightly soluble

Refractive Index

1.5605 (estimate)

SMILES

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C1=NC2=C(N1)C(=S)NC(=S)N2

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

LogP

1.6780799999999998

Topological Polar Surface Area

60.26 Å²

Hydrogen Bond Donor/Acceptor

3 / 4

Complexity

217

Synonyms & References

English

W-105637
3,9-Dihydro-purine-2,6-dithione
2,6-Dithioxanthine
NSC-685799
3,7-dihydropurine-2,6-dithione
AS-59715
3,7-Dihydro-1H-purine-2,6-dithione
NSC 15989
WLN: T56 BM DN FN HNJ GSH ISH
2,6-Dimercapto-7H-purine
NS00033060
AKOS024258160
Xanthine, 2,6-dithio-
2,6-Dithiopurine
AKOS015896905
Dithioxanthine;9H-Purine-2,6-dithiol
AC-17211
3,9-dihydropurine-2,6-dithione
NSC-15989
Xanthine, dithio-
CS-W017002
VQPMXSMUUILNFZ-UHFFFAOYSA-N
NCGC00161966-01
Dithioxanthine
2,3,6,9-tetrahydro-1H-purine-2,6-dithione
AC-26506
Purine-2,6-dithiol
2,6-Dithioxo-1,2,3,6-tetrahydro-9H-purine
DTXSID00202744
BCP30962
MFCD00022644

MDL Number

MFCD00022644

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 3,7-Dihydro-1H-purine-2,6-dithione (CAS: 5437-25-2)?

3,7-Dihydro-1H-purine-2,6-dithione (CAS: 5437-25-2) is a white crystalline solid with a molecular weight of 166.17 g/mol. It has a solubility of 1.4 g/L in water. This compound is relatively stable but can react with strong acids or bases. It is insoluble in organic solvents like ethanol and acetone.

How is 3,7-Dihydro-1H-purine-2,6-dithione (CAS: 5437-25-2) typically synthesized?

3,7-Dihydro-1H-purine-2,6-dithione (CAS: 5437-25-2) can be synthesized via the Mannich reaction starting from uracil and thiourea. This process involves the use of a strong base such as sodium hydroxide. The yield can be up to 85%, depending on the reaction conditions and the catalyst used.

What industries use 3,7-Dihydro-1H-purine-2,6-dithione (CAS: 5437-25-2)?

3,7-Dihydro-1H-purine-2,6-dithione (CAS: 5437-25-2) is primarily used in the pharmaceutical industry. It serves as a precursor for the synthesis of various purine-based drugs. Additionally, it can be used in the preparation of certain polymer and sensor materials.

What precautions should be taken when handling 3,7-Dihydro-1H-purine-2,6-dithione (CAS: 5437-25-2)?

When handling 3,7-Dihydro-1H-purine-2,6-dithione (CAS: 5437-25-2), it is important to wear protective gloves, safety goggles, and a lab coat. Work in a well-ventilated area or fume hood to avoid inhalation of the compound. Spills should be cleaned up using absorbent materials and disposed of according to local regulations. Always consult a Material Safety Data Sheet (MSDS/SDS) for detailed safety information.