6-(Methylsulfanyl)-7H-purine

Basic Information

View in Editor

CAS Number

50-66-8

Molecular Formula

C6H6N4S

Molecular Weight

166.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

219-223 °C

Boiling Point

470.2°C at 760 mmHg

Water Solubility

Soluble in water (769 mg/L).

Flash Point

129.7°C

Refractive Index

1.806

Vapor Pressure

0.00351mmHg at 25°C

SMILES

View in Editor

CSC1=NC=NC2=C1NC=N2

InChI

InChI=1S/C6H6N4S/c1-11-6-4-5(8-2-7-4)9-3-10-6/h2-3H,1H3,(H,7,8,9,10)

InChIKey

UIJIQXGRFSPYQW-UHFFFAOYSA-N

LogP

1.0747999999999998

Topological Polar Surface Area

54.46 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

143

Safety Information

View Safety Information

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

XQG
PD150800
NCGC00081884-02
6-Methylthiopurin-9-yl
Z56759523
6-(methylthio)-7h-purine
Sq 8,343
F0578-0178
AKOS001030430
Purine, 6-methylthio-
SDCCGMLS-0065452.P001
NSC20105
6-(methylsulfanyl)-9H-purine
METHYLMERCAPTOPURINE, 6-
AB00172295-02
CHEBI:28279
7H-Purine, 6-(methylthio)-
50-66-8
AB00172295-03
LS-127122
BIDD:GT0117
6-methyl-thiopurine
PURINE, 6-(METHYLTHIO)-
SQ 8343
133762-85-3
AKOS006221849
Q27103606
Maybridge4_001828
CS-O-10362
FT-0671906
UNII-6V404DV25O

MDL Number

MFCD00005576

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 6-(Methylsulfanyl)-7H-purine (CAS: 50-66-8)?

6-(Methylsulfanyl)-7H-purine is a crystalline solid with a molecular weight of approximately 168.16 g/mol. It has a melting point of 250-255°C. The compound is slightly soluble in water and organic solvents such as ethanol and acetone. It is relatively stable under normal conditions but reacts with strong bases and oxidizing agents.

How is 6-(Methylsulfanyl)-7H-purine (CAS: 50-66-8) typically synthesized?

6-(Methylsulfanyl)-7H-purine is typically synthesized via the reaction of methyl mercaptan with 7H-purine-6-carbaldehyde in the presence of a base such as sodium hydroxide. The reaction yields a high purity product with good selectivity and a high yield of up to 95%.

What industries use 6-(Methylsulfanyl)-7H-purine (CAS: 50-66-8)?

6-(Methylsulfanyl)-7H-purine is primarily used in the pharmaceutical industry for the synthesis of certain drugs. It may also find applications in the production of certain dyes and in the development of new materials for sensors and semiconductors.

What precautions should be taken when handling 6-(Methylsulfanyl)-7H-purine (CAS: 50-66-8)?

Proper personal protective equipment (PPE) including gloves, safety goggles, and a lab coat is required when handling 6-(Methylsulfanyl)-7H-purine. Store it in a fume hood and away from strong acids, bases, and oxidizers. Spills should be handled carefully and disposed of according to safety data sheet (SDS) guidelines. Always consult the SDS for detailed safety information.