6-Sulfanyl-9H-purin-2-ol

Basic Information

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CAS Number

2002-59-7

Molecular Formula

C5H4N4OS

Molecular Weight

168.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

300 °C

Refractive Index

1.6390 (estimate)

SMILES

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

InChI

InChI=1S/C5H4N4OS/c10-5-8-3-2(4(11)9-5)6-1-7-3/h1H,(H3,6,7,8,9,10,11)

InChIKey

RJOXFJDOUQJOMQ-UHFFFAOYSA-N

LogP

0.30878999999999995

Topological Polar Surface Area

77.33 Å²

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

219

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

NSC 12160
3,6-Dihydro-6-thioxo-9H-purine-2(1H)-one
6-Thioxanthine
AI3-52244
J-518826
6-Thioxo-1,3,6,9-tetrahydro-2H-purin-2-one
?6-THIOXANTHINE
A814176
GS-3736
2002-59-7
AKOS015854532
Purin-2-ol, 6-mercapto (keto form)
6-Thioxo-6,9-dihydro-1H-purin-2(3H)-one
2H-PURIN-2-ONE, 1,3,6,7-TETRAHYDRO-6-THIOXO- XANTHINE, 6-THIO-
2-Oxo-6-thioxo-1,2,3,6-tetrahydro-9H-purine
2-HYDROXY-6-THIOPURINE
6-thioxo-3,7-dihydropurin-2-one;6-Thioxo-6,9-dihydro-1H-purin-2(3H)-one
2H-Purin-2-one, 1,3,6,7-tetrahydro-6-thioxo-
1,3,6,9-Tetrahydro-6-thioxo-2H-purin-2-one
F12268
6-sulfanyl-9H-purin-2-ol
SCHEMBL8485085
NSC12160
2-Hydroxy-6-mercaptopurine
NS00009361
6-Thioxo-1,3,6,9-tetrahydro-purin-2-one
DTXSID80173842
6-mercapto-3,9-dihydro-2H-purin-2-one
Imidazolo[4, 5-d]pyrimidin-6(5H)-one, 4, 7-dihydro-4-thione-
Xanthine, 6-thio-
6-Mercaptoxanthine

MDL Number

MFCD00143509

Customs Code

2933990090

FAQ

What regulatory guidelines apply to 6-Sulfanyl-9H-purin-2-ol (CAS: 2002-59-7)?

6-Sulfanyl-9H-purin-2-ol (CAS: 2002-59-7) is subject to regulations under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), including labeling with appropriate hazard statements and pictograms. The European Union REACH regulations may also apply for its import and manufacture. Additionally, FDA and EPA regulations govern its use in products subject to pharmaceutical or environmental controls.

Are there alternatives to 6-Sulfanyl-9H-purin-2-ol (CAS: 2002-59-7) in synthesis?

Alternatives to 6-Sulfanyl-9H-purin-2-ol (CAS: 2002-59-7) in synthesis include similar purine derivatives such as 6-Aminopurine or 6-Methylpurine. Common alternative reagents include thiols like cysteine or sodium sulfide for introducing the sulfanyl group.

What is the market or research trend for 6-Sulfanyl-9H-purin-2-ol (CAS: 2002-59-7)?

The market for 6-Sulfanyl-9H-purin-2-ol (CAS: 2002-59-7) is growing due to its potential applications in pharmaceuticals and agrochemicals. Research trends are focusing on its use as a precursor for drug development and as an intermediate in organic synthesis. Environmental and safety concerns are also driving research into its biodegradability and eco-friendly applications.

How should waste containing 6-Sulfanyl-9H-purin-2-ol (CAS: 2002-59-7) be handled?

Waste containing 6-Sulfanyl-9H-purin-2-ol (CAS: 2002-59-7) should be collected in a closed container and disposed of according to local regulations. Incineration is a common method, but professional waste disposal services are recommended for hazardous waste. Environmental protection measures include neutralizing any acidic or basic components before disposal to prevent soil and water contamination.